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

Systemtic Name: ethyl 2-[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H30N4O3S2 MolecularWeight: 510.6714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3CC=C)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3CC=C)C4CCCCC4

InChI

InChI=1S/C26H30N4O3S2/c1-3-15-30-23(19-13-9-6-10-14-19)28-29-26(30)34-17-22(31)27-24-20(25(32)33-4-2)16-21(35-24)18-11-7-5-8-12-18/h3,5,7-8,11-12,16,19H,1,4,6,9-10,13-15,17H2,2H3,(H,27,31)