[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine

Systemtic Name: [5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine Openeye Name: [5-[(4-tert-butylphenyl)methylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]methanamine CAS Name: [5-[(4-tert-butylphenyl)methylthio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine IUPAC Name: [5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine Traditional Name: [5-[(4-tert-butylbenzyl)thio]-4-isobutyl-1,2,4-triazol-3-yl]methylamine Formula: C18H28N4S MolecularWeight: 332.50672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)CN

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)CN

InChI

InChI=1S/C18H28N4S/c1-13(2)11-22-16(10-19)20-21-17(22)23-12-14-6-8-15(9-7-14)18(3,4)5/h6-9,13H,10-12,19H2,1-5H3