2-[[4-(2,3-dimethylphenyl)-5-[[(4-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-ethanamide

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)-5-[[(4-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[[4-(2,3-dimethylphenyl)-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[[4-(2,3-dimethylphenyl)-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylacetamide IUPAC Name: 2-[[4-(2,3-dimethylphenyl)-5-[(4-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide Traditional Name: 2-[[4-(2,3-dimethylphenyl)-5-(p-anisidinomethyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-acetamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)N(C)C3=CC=CC=C3)CNC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)N(C)C3=CC=CC=C3)CNC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H29N5O2S/c1-19-9-8-12-24(20(19)2)32-25(17-28-21-13-15-23(34-4)16-14-21)29-30-27(32)35-18-26(33)31(3)22-10-6-5-7-11-22/h5-16,28H,17-18H2,1-4H3