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

Systemtic Name: 2-[[4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-methyl-5-[(1-methyl-2-pyrrolyl)methyl]-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-methyl-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2C)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2C)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H23N5OS/c1-23-12-6-9-16(23)13-17-21-22-19(24(17)2)26-14-18(25)20-11-10-15-7-4-3-5-8-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,25)