4-(4-butylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-butylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C17H18N4S MolecularWeight: 310.41662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=NC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=NC=C3

InChI

InChI=1S/C17H18N4S/c1-2-3-4-13-5-7-15(8-6-13)21-16(19-20-17(21)22)14-9-11-18-12-10-14/h5-12H,2-4H2,1H3,(H,20,22)