N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,3-dimethoxyphenyl)methyleneamino]acetamide CAS Name: N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-(2,3-dimethoxybenzylidene)amino]acetamide Formula: C25H24N6O3S MolecularWeight: 488.56146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=NNC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=N/NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H24N6O3S/c1-33-21-10-6-9-20(23(21)34-2)15-27-28-22(32)17-35-25-30-29-24(19-11-13-26-14-12-19)31(25)16-18-7-4-3-5-8-18/h3-15H,16-17H2,1-2H3,(H,28,32)/b27-15+