2-[[3-(4-tert-butylphenyl)-4-cyclohexyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[[3-(4-tert-butylphenyl)-4-cyclohexyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[3-(4-tert-butylphenyl)-4-cyclohexyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[3-(4-tert-butylphenyl)-4-cyclohexyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[3-(4-tert-butylphenyl)-4-cyclohexyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[3-(4-tert-butylphenyl)-4-cyclohexyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C25H39N5OS MolecularWeight: 457.67506

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C3CCCCC3

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C3CCCCC3

InChI

InChI=1S/C25H39N5OS/c1-6-16-26-22(31)17-28(5)18-29-24(32)30(21-10-8-7-9-11-21)23(27-29)19-12-14-20(15-13-19)25(2,3)4/h12-15,21H,6-11,16-18H2,1-5H3,(H,26,31)