3-azanylidene-2-[(1,3-diphenyl-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]prop-2-enenitrile

Systemtic Name: 3-azanylidene-2-[(1,3-diphenyl-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]prop-2-enenitrile Openeye Name: 2-(1,3-diphenyltetrazol-1-ium-5-yl)sulfanyl-3-imino-prop-2-enenitrile CAS Name: 2-[(1,3-diphenyl-5-tetrazol-1-iumyl)thio]-3-imino-2-propenenitrile IUPAC Name: 2-(1,3-diphenyltetrazol-1-ium-5-yl)sulfanyl-3-iminoprop-2-enenitrile Traditional Name: 2-[(1,3-diphenyltetrazol-1-ium-5-yl)thio]-3-imino-acrylonitrile Formula: C16H11N6S+ MolecularWeight: 319.36374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C([N+](=N2)C3=CC=CC=C3)SC(=C=N)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2N=C([N+](=N2)C3=CC=CC=C3)SC(=C=N)C#N

InChI

InChI=1S/C16H11N6S/c17-11-15(12-18)23-16-19-22(14-9-5-2-6-10-14)20-21(16)13-7-3-1-4-8-13/h1-10,17H/q+1