3-(4-tert-butylphenyl)-4-(2-methylheptyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-tert-butylphenyl)-4-(2-methylheptyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-tert-butylphenyl)-4-(2-methylheptyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-(2-methylheptyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-(2-methylheptyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-tert-butylphenyl)-4-(2-methylheptyl)-1H-1,2,4-triazole-5-thione Formula: C20H31N3S MolecularWeight: 345.54524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CN1C(=NNC1=S)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCC(C)CN1C(=NNC1=S)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H31N3S/c1-6-7-8-9-15(2)14-23-18(21-22-19(23)24)16-10-12-17(13-11-16)20(3,4)5/h10-13,15H,6-9,14H2,1-5H3,(H,22,24)