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

Systemtic Name: methyl 3-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C19H18N4O3S2/c1-26-18(25)16-14(9-10-27-16)20-15(24)11-28-19-21-17(12-7-8-12)23(22-19)13-5-3-2-4-6-13/h2-6,9-10,12H,7-8,11H2,1H3,(H,20,24)