N-[(4-tert-butylphenyl)methyl]-N-(thiophen-2-ylmethyl)-1,2,4-triazol-1-amine

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-N-(thiophen-2-ylmethyl)-1,2,4-triazol-1-amine Openeye Name: N-[(4-tert-butylphenyl)methyl]-N-(2-thienylmethyl)-1,2,4-triazol-1-amine CAS Name: N-[(4-tert-butylphenyl)methyl]-N-(thiophen-2-ylmethyl)-1,2,4-triazol-1-amine IUPAC Name: N-[(4-tert-butylphenyl)methyl]-N-(thiophen-2-ylmethyl)-1,2,4-triazol-1-amine Traditional Name: (4-tert-butylbenzyl)-(2-thenyl)-(1,2,4-triazol-1-yl)amine Formula: C18H22N4S MolecularWeight: 326.45908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CS2)N3C=NC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CS2)N3C=NC=N3

InChI

InChI=1S/C18H22N4S/c1-18(2,3)16-8-6-15(7-9-16)11-21(22-14-19-13-20-22)12-17-5-4-10-23-17/h4-10,13-14H,11-12H2,1-3H3