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

Systemtic Name: (4-ethyl-5-phenyl-1,2,4-triazol-3-yl) N-tert-butyl-2-[(4-chlorophenyl)methylamino]butanimidothioate Openeye Name: (4-ethyl-5-phenyl-1,2,4-triazol-3-yl) N-tert-butyl-2-[(4-chlorophenyl)methylamino]butanimidothioate CAS Name: N-tert-butyl-2-[(4-chlorophenyl)methylamino]butanimidothioic acid (4-ethyl-5-phenyl-1,2,4-triazol-3-yl) ester IUPAC Name: (4-ethyl-5-phenyl-1,2,4-triazol-3-yl) N-tert-butyl-2-[(4-chlorophenyl)methylamino]butanimidothioate Traditional Name: N-tert-butyl-2-[(4-chlorobenzyl)amino]thiobutyrimidic acid (4-ethyl-5-phenyl-1,2,4-triazol-3-yl) ester Formula: C25H32ClN5S MolecularWeight: 470.07308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=NC(C)(C)C)SC1=NN=C(N1CC)C2=CC=CC=C2)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=NC(C)(C)C)SC1=NN=C(N1CC)C2=CC=CC=C2)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H32ClN5S/c1-6-21(27-17-18-13-15-20(26)16-14-18)23(28-25(3,4)5)32-24-30-29-22(31(24)7-2)19-11-9-8-10-12-19/h8-16,21,27H,6-7,17H2,1-5H3