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

Systemtic Name: 2-[[5-[azanyl-(4-methylphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-[amino(p-tolyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-[amino-(4-methylphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-[amino-(4-methylphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-[amino(p-tolyl)methyl]-4-methyl-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)C(C2=NN=C(N2C)SCC(=O)NCCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=NN=C(N2C)SCC(=O)NCCC3=CC=CC=C3)N

InChI

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