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

Systemtic Name: methyl 2-[2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(5-ethyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-ethyl-4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)C)SCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=NN=C(N1C(C)C)SCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H26N4O3S2/c1-6-16-24-25-22(26(16)13(2)3)30-12-17(27)23-20-19(21(28)29-5)18(14(4)31-20)15-10-8-7-9-11-15/h7-11,13H,6,12H2,1-5H3,(H,23,27)