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

Systemtic Name: methyl 4-[2-[(4-pyrrol-1-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4-pyrrol-1-yl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(1-pyrrolyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-pyrrol-1-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-pyrrol-1-yl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CS4

InChI

InChI=1S/C20H17N5O3S2/c1-28-19(27)14-6-8-15(9-7-14)21-17(26)13-30-20-23-22-18(16-5-4-12-29-16)25(20)24-10-2-3-11-24/h2-12H,13H2,1H3,(H,21,26)