2-[2-(azepan-1-yl)ethenylsulfanyl]-6-chloranyl-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-[2-(azepan-1-yl)ethenylsulfanyl]-6-chloranyl-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-[2-(azepan-1-yl)vinylsulfanyl]-6-chloro-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-[2-(1-azepanyl)ethenylthio]-6-chloro-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)ethenylsulfanyl]-6-chloro-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-[2-(azepan-1-yl)vinylthio]-6-chloro-4-(4-chlorophenyl)dinicotinonitrile Formula: C21H18Cl2N4S MolecularWeight: 429.36542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C=CSC2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)Cl)C#N)Cl

Isomeric SMILES

C1CCCN(CC1)C=CSC2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)Cl)C#N)Cl

InChI

InChI=1S/C21H18Cl2N4S/c22-16-7-5-15(6-8-16)19-17(13-24)20(23)26-21(18(19)14-25)28-12-11-27-9-3-1-2-4-10-27/h5-8,11-12H,1-4,9-10H2