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

Systemtic Name: methyl 4-[2-(3-methyl-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-methyl-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[3-methyl-4-(1-pyrrolyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-methyl-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-methyl-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1N2C=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NN(C(=S)N1N2C=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H17N5O3S/c1-12-19-21(17(26)22(12)20-9-3-4-10-20)11-15(23)18-14-7-5-13(6-8-14)16(24)25-2/h3-10H,11H2,1-2H3,(H,18,23)