(1-phenyl-1,2,3,4-tetrazol-5-yl) (1E)-2-oxidanylidene-2-phenyl-N-phenylazanyl-ethanimidothioate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl) (1E)-2-oxidanylidene-2-phenyl-N-phenylazanyl-ethanimidothioate Openeye Name: (1-phenyltetrazol-5-yl) (1E)-N-anilino-2-oxo-2-phenyl-ethanimidothioate CAS Name: (1E)-N-anilino-2-oxo-2-phenylethanimidothioic acid (1-phenyl-5-tetrazolyl) ester IUPAC Name: (1-phenyltetrazol-5-yl) (1E)-N-anilino-2-oxo-2-phenylethanimidothioate Traditional Name: (1E)-N-anilino-2-keto-2-phenyl-thioacetimidic acid (1-phenyltetrazol-5-yl) ester Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=NNC2=CC=CC=C2)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=N\NC2=CC=CC=C2)/SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H16N6OS/c28-19(16-10-4-1-5-11-16)20(23-22-17-12-6-2-7-13-17)29-21-24-25-26-27(21)18-14-8-3-9-15-18/h1-15,22H/b23-20+