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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-pyridyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-pyridin-4-yl-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylbenzyl)thio]-5-(4-pyridyl)-1,2,4-triazol-4-yl]amine Formula: C18H21N5S MolecularWeight: 339.45784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=NC=C3

InChI

InChI=1S/C18H21N5S/c1-18(2,3)15-6-4-13(5-7-15)12-24-17-22-21-16(23(17)19)14-8-10-20-11-9-14/h4-11H,12,19H2,1-3H3