2-azanyl-4-(2-chlorophenyl)-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(2-chlorophenyl)-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-(2-chlorophenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(2-chlorophenyl)-6-(phenylmethylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-(2-chlorophenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-(2-chlorophenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C20H14ClN4S+ MolecularWeight: 377.86996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C20H13ClN4S/c21-17-9-5-4-8-14(17)18-15(10-22)19(24)25-20(16(18)11-23)26-12-13-6-2-1-3-7-13/h1-9H,12H2,(H2,24,25)/p+1