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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC(=C4)C)C

InChI

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