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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[5-[[(4-methylphenyl)amino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[5-(p-toluidinomethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NC(=NN2)SCC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NC(=NN2)SCC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C20H23N5OS/c1-13-4-6-16(7-5-13)21-11-18-23-20(25-24-18)27-12-19(26)22-17-9-14(2)8-15(3)10-17/h4-10,21H,11-12H2,1-3H3,(H,22,26)(H,23,24,25)