methyl 4-[2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C21H20N4O3S/c1-3-13-24-19(15-7-5-4-6-8-15)23-25(21(24)29)14-18(26)22-17-11-9-16(10-12-17)20(27)28-2/h3-12H,1,13-14H2,2H3,(H,22,26)