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

Systemtic Name: methyl 5-methyl-2-[2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-allyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-[(5-propan-2-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C(C)C)C(=O)OC

InChI

InChI=1S/C17H22N4O3S2/c1-6-7-21-14(10(2)3)19-20-17(21)25-9-13(22)18-15-12(16(23)24-5)8-11(4)26-15/h6,8,10H,1,7,9H2,2-5H3,(H,18,22)