N-butyl-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H30N4O2S MolecularWeight: 402.5535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H30N4O2S/c1-3-4-14-22-19(26)15-28-21-24-23-20(16-10-12-18(27-2)13-11-16)25(21)17-8-6-5-7-9-17/h10-13,17H,3-9,14-15H2,1-2H3,(H,22,26)