3-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazole

3-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazole

Formula: C17H16ClN3OS

SMILES: COC1=CC=C(CC2=NN=C(N2)SCC2=CC=C(Cl)C=C2)C=C1

IUPAC: 3-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazole

InChI: InChI=1S/C17H16ClN3OS/c1-22-15-8-4-12(5-9-15)10-16-19-17(21-20-16)23-11-13-2-6-14(18)7-3-13/h2-9H,10-11H2,1H3,(H,19,20,21)

Composition: C (59.04%), H (4.66%), Cl (10.25%), N (12.15%), O (4.63%), S (9.27%)

Molar Mass: 345.85

Atom Count: 39

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	345.070261
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ONFNCIFMQCPIBP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.55
Topological Polar Surface Area	50.8
Polarizability	36.5
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H16ClN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00