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

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(3,4-dimethoxyphenyl)methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3,4-dimethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3,4-dimethoxyphenyl)methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-pyridyl)-4-(veratrylamino)-1H-1,2,4-triazole-5-thione Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OC

InChI

InChI=1S/C16H17N5O2S/c1-22-13-4-3-11(9-14(13)23-2)10-18-21-15(19-20-16(21)24)12-5-7-17-8-6-12/h3-9,18H,10H2,1-2H3,(H,20,24)