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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4,5-trimethoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-(2,4,5-trimethoxybenzylidene)amino]acetamide Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC(=C(C=C3OC)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC(=C(C=C3OC)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H27N5O4S/c1-18-10-12-21(13-11-18)32-26(19-8-6-5-7-9-19)30-31-27(32)37-17-25(33)29-28-16-20-14-23(35-3)24(36-4)15-22(20)34-2/h5-16H,17H2,1-4H3,(H,29,33)/b28-16+