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

Systemtic Name: ethyl 2-[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H29N5O3S2 MolecularWeight: 451.60596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S2/c1-4-28-19(27)14-10-15(12(2)3)30-18(14)22-16(26)11-29-20-24-23-17(25(20)21)13-8-6-5-7-9-13/h10,12-13H,4-9,11,21H2,1-3H3,(H,22,26)