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

Systemtic Name: methyl 2-[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C)C3CCCCC3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NN=C(N2C)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C19H26N4O3S2/c1-4-13-10-14(18(25)26-3)17(28-13)20-15(24)11-27-19-22-21-16(23(19)2)12-8-6-5-7-9-12/h10,12H,4-9,11H2,1-3H3,(H,20,24)