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

Systemtic Name: (4-methyl-1,2,4-triazol-3-yl) 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-butanimidothioate Openeye Name: (4-methyl-1,2,4-triazol-3-yl) 2-[(4-chlorophenyl)methylamino]-N-cyclohexyl-butanimidothioate CAS Name: 2-[(4-chlorophenyl)methylamino]-N-cyclohexylbutanimidothioic acid (4-methyl-1,2,4-triazol-3-yl) ester IUPAC Name: (4-methyl-1,2,4-triazol-3-yl) 2-[(4-chlorophenyl)methylamino]-N-cyclohexylbutanimidothioate Traditional Name: 2-[(4-chlorobenzyl)amino]-N-cyclohexyl-thiobutyrimidic acid (4-methyl-1,2,4-triazol-3-yl) ester Formula: C20H28ClN5S MolecularWeight: 405.98782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=NC1CCCCC1)SC2=NN=CN2C)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=NC1CCCCC1)SC2=NN=CN2C)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H28ClN5S/c1-3-18(22-13-15-9-11-16(21)12-10-15)19(24-17-7-5-4-6-8-17)27-20-25-23-14-26(20)2/h9-12,14,17-18,22H,3-8,13H2,1-2H3