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

Systemtic Name: 2-(1-methylpyrrol-3-yl)-N-[[5-methylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]ethanamide Openeye Name: N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrrol-3-yl)acetamide CAS Name: 2-(1-methyl-3-pyrrolyl)-N-[[5-(methylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]acetamide IUPAC Name: N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrrol-3-yl)acetamide Traditional Name: N-[[4-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)CC(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SC

Isomeric SMILES

CN1C=CC(=C1)CC(=O)NCC2=NN=C(N2CC3=CC=CC=C3)SC

InChI

InChI=1S/C18H21N5OS/c1-22-9-8-15(12-22)10-17(24)19-11-16-20-21-18(25-2)23(16)13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,19,24)