(4-ethyl-5-phenyl-1,2,4-triazol-3-yl) 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-butanimidothioate

Systemtic Name: (4-ethyl-5-phenyl-1,2,4-triazol-3-yl) 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-butanimidothioate Openeye Name: (4-ethyl-5-phenyl-1,2,4-triazol-3-yl) 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-butanimidothioate CAS Name: 2-[(4-chlorophenyl)methylamino]-N-cyclohexylbutanimidothioic acid (4-ethyl-5-phenyl-1,2,4-triazol-3-yl) ester IUPAC Name: (4-ethyl-5-phenyl-1,2,4-triazol-3-yl) 2-[(4-chlorophenyl)methylamino]-N-cyclohexylbutanimidothioate Traditional Name: 2-[(4-chlorobenzyl)amino]-N-cyclohexyl-thiobutyrimidic acid (4-ethyl-5-phenyl-1,2,4-triazol-3-yl) ester Formula: C27H34ClN5S MolecularWeight: 496.11036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=NC1CCCCC1)SC2=NN=C(N2CC)C3=CC=CC=C3)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C(=NC1CCCCC1)SC2=NN=C(N2CC)C3=CC=CC=C3)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H34ClN5S/c1-3-24(29-19-20-15-17-22(28)18-16-20)26(30-23-13-9-6-10-14-23)34-27-32-31-25(33(27)4-2)21-11-7-5-8-12-21/h5,7-8,11-12,15-18,23-24,29H,3-4,6,9-10,13-14,19H2,1-2H3