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

Systemtic Name: ethyl 2-[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2N)C3CCCCC3

InChI

InChI=1S/C19H27N5O3S2/c1-4-27-18(26)15-11(2)12(3)29-17(15)21-14(25)10-28-19-23-22-16(24(19)20)13-8-6-5-7-9-13/h13H,4-10,20H2,1-3H3,(H,21,25)