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

Systemtic Name: 2-[[5-[[(4-methylphenyl)amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-methylanilino)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-methylanilino)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-methylanilino)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-phenethyl-5-(p-toluidinomethyl)-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=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C20H23N5OS/c1-15-7-9-17(10-8-15)22-13-19-23-24-20(27-14-18(21)26)25(19)12-11-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H2,21,26)