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

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

Formula: C22H17ClN4OS

SMILES: ClC1=CC=C(C=C1)C1=NC(SCC(=O)N(C2=CC=CC=C2)C2=CC=CC=C2)=NN1

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

InChI: InChI=1S/C22H17ClN4OS/c23-17-13-11-16(12-14-17)21-24-22(26-25-21)29-15-20(28)27(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,24,25,26)

Composition: C (62.78%), H (4.07%), Cl (8.42%), N (13.31%), O (3.80%), S (7.62%)

Molar Mass: 420.92

Atom Count: 46

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	420.0811601
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JHBCTQYFSHJFRB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	128.93
Topological Polar Surface Area	61.88
Polarizability	45.52
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H17ClN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00