2-[(4-chlorophenyl)methylsulfanyl]-4-[(phenylmethyl)amino]pyridine-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-[(phenylmethyl)amino]pyridine-3-carbonitrile Openeye Name: 4-(benzylamino)-2-[(4-chlorophenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-[(phenylmethyl)amino]-3-pyridinecarbonitrile IUPAC Name: 4-(benzylamino)-2-[(4-chlorophenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4-(benzylamino)-2-[(4-chlorobenzyl)thio]nicotinonitrile Formula: C20H16ClN3S MolecularWeight: 365.87914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC=C2)SCC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC=C2)SCC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H16ClN3S/c21-17-8-6-16(7-9-17)14-25-20-18(12-22)19(10-11-23-20)24-13-15-4-2-1-3-5-15/h1-11H,13-14H2,(H,23,24)