[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C18H22N4O3S MolecularWeight: 374.45728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O3S/c23-15(19-14-9-5-2-6-10-14)11-25-16(24)12-26-18-20-17(21-22-18)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,19,23)(H,20,21,22)