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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4-dimethoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-(2,4-dimethoxybenzylidene)amino]acetamide Formula: C25H22ClN5O3S MolecularWeight: 507.99188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H22ClN5O3S/c1-33-21-13-8-18(22(14-21)34-2)15-27-28-23(32)16-35-25-30-29-24(17-6-4-3-5-7-17)31(25)20-11-9-19(26)10-12-20/h3-15H,16H2,1-2H3,(H,28,32)/b27-15+