methyl 2-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanoate

Systemtic Name: methyl 2-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanoate Openeye Name: methyl 2-(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)acetate CAS Name: 2-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)acetic acid methyl ester IUPAC Name: methyl 2-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)acetate Traditional Name: 2-(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)acetic acid methyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=S)N(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C(=S)N(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-22-15(21)12-19-17(23)20(14-10-6-3-7-11-14)16(18-19)13-8-4-2-5-9-13/h2-11H,12H2,1H3