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

Systemtic Name: methyl 3-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C16H18N4O3S2/c1-3-7-20-14(10-4-5-10)18-19-16(20)25-9-12(21)17-11-6-8-24-13(11)15(22)23-2/h3,6,8,10H,1,4-5,7,9H2,2H3,(H,17,21)