2-(2-aminophenyl)sulfanyl-6-azanyl-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-(2-aminophenyl)sulfanyl-6-azanyl-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(2-aminophenyl)sulfanyl-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(2-aminophenyl)thio]-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(2-aminophenyl)sulfanyl-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(2-aminophenyl)thio]-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C20H16N5S+ MolecularWeight: 358.43954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SC3=CC=CC=C3N)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SC3=CC=CC=C3N)N)C#N

InChI

InChI=1S/C20H15N5S/c1-12-6-8-13(9-7-12)18-14(10-21)19(24)25-20(15(18)11-22)26-17-5-3-2-4-16(17)23/h2-9H,23H2,1H3,(H2,24,25)/p+1