3-pyridin-4-yl-4-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-pyridin-4-yl-4-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-pyridyl)-4-[(E)-(2,3,4-trimethoxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-pyridin-4-yl-4-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-pyridin-4-yl-4-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-pyridyl)-4-[(E)-(2,3,4-trimethoxybenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C17H17N5O3S MolecularWeight: 371.41358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=NC=C3)OC)OC

InChI

InChI=1S/C17H17N5O3S/c1-23-13-5-4-12(14(24-2)15(13)25-3)10-19-22-16(20-21-17(22)26)11-6-8-18-9-7-11/h4-10H,1-3H3,(H,21,26)/b19-10+