ethyl 2-[[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-1-oxo-2-phenylethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H31N5O3S2 MolecularWeight: 561.71814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=NN=C(N4N)C5CCCCC5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)SC4=NN=C(N4N)C5CCCCC5

InChI

InChI=1S/C29H31N5O3S2/c1-2-37-28(36)23-22(19-12-6-3-7-13-19)18-38-27(23)31-26(35)24(20-14-8-4-9-15-20)39-29-33-32-25(34(29)30)21-16-10-5-11-17-21/h3-4,6-9,12-15,18,21,24H,2,5,10-11,16-17,30H2,1H3,(H,31,35)