2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylheptyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H36N4OS MolecularWeight: 416.62314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CN1C(=NN=C1SC(C)C(=O)N)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCC(C)CN1C(=NN=C1SC(C)C(=O)N)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H36N4OS/c1-7-8-9-10-16(2)15-27-21(25-26-22(27)29-17(3)20(24)28)18-11-13-19(14-12-18)23(4,5)6/h11-14,16-17H,7-10,15H2,1-6H3,(H2,24,28)