4-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]sulfanyl}pyridine-3-carbonitrile

4-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]sulfanyl}pyridine-3-carbonitrile

CAS: 339103-68-3

Formula: C20H15ClN2OS

SMILES: COC1=CC=C(CSC2=NC=CC(C3=CC=C(Cl)C=C3)=C2C#N)C=C1

IUPAC: 4-(4-chlorophenyl)-2-{[(4-methoxyphenyl)methyl]sulfanyl}pyridine-3-carbonitrile

InChI: InChI=1S/C20H15ClN2OS/c1-24-17-8-2-14(3-9-17)13-25-20-19(12-22)18(10-11-23-20)15-4-6-16(21)7-5-15/h2-11H,13H2,1H3

Composition: C (65.48%), H (4.12%), Cl (9.66%), N (7.64%), O (4.36%), S (8.74%)

Molar Mass: 366.86

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	366.059362
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QWSCQJNSVIVWCT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	103.76
Topological Polar Surface Area	45.91
Polarizability	41.11
Ring Count	3
Rotatable Bond Count	5

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