4-[(4-ethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(4-ethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-ethoxyphenyl)methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-ethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(4-ethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-ethoxybenzyl)amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C16H17N5OS MolecularWeight: 327.40408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNN2C(=NNC2=S)C3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CNN2C(=NNC2=S)C3=CC=NC=C3

InChI

InChI=1S/C16H17N5OS/c1-2-22-14-5-3-12(4-6-14)11-18-21-15(19-20-16(21)23)13-7-9-17-10-8-13/h3-10,18H,2,11H2,1H3,(H,20,23)