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

Systemtic Name: 2-[[4-methyl-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-methyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-methyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-methyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-methyl-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NN=C(N2C)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NN=C(N2C)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-16-8-10-18(11-9-16)23-14-19-24-25-21(26(19)2)28-15-20(27)22-13-12-17-6-4-3-5-7-17/h3-11,23H,12-15H2,1-2H3,(H,22,27)