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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-(3,4,5-trimethoxybenzylidene)amino]acetamide Formula: C25H23ClN6O4S MolecularWeight: 539.00592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C25H23ClN6O4S/c1-34-20-12-16(13-21(35-2)23(20)36-3)14-28-29-22(33)15-37-25-31-30-24(17-8-10-27-11-9-17)32(25)19-6-4-18(26)5-7-19/h4-14H,15H2,1-3H3,(H,29,33)/b28-14+