N-(4-bromo-2,3-dimethylphenyl)-2-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

N-(4-bromo-2,3-dimethylphenyl)-2-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Formula: C18H16BrClN4OS

SMILES: CC1=C(C)C(NC(=O)CSC2=NNC(=N2)C2=CC=C(Cl)C=C2)=CC=C1Br

IUPAC: N-(4-bromo-2,3-dimethylphenyl)-2-{[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamide

InChI: InChI=1S/C18H16BrClN4OS/c1-10-11(2)15(8-7-14(10)19)21-16(25)9-26-18-22-17(23-24-18)12-3-5-13(20)6-4-12/h3-8H,9H2,1-2H3,(H,21,25)(H,22,23,24)

Composition: C (47.86%), H (3.57%), Br (17.69%), Cl (7.85%), N (12.40%), O (3.54%), S (7.10%)

Molar Mass: 451.77

Atom Count: 42

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	449.991673
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LXPPKCQOCQUPOL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	123.75
Topological Polar Surface Area	70.67
Polarizability	42.25
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16BrClN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00