methyl 3-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H16N4O3S3 MolecularWeight: 420.52894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C17H16N4O3S3/c1-24-16(23)14-11(6-8-26-14)18-13(22)9-27-17-20-19-15(12-3-2-7-25-12)21(17)10-4-5-10/h2-3,6-8,10H,4-5,9H2,1H3,(H,18,22)