2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-benzyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-17-8-7-11-19(14-17)26-20(15-18-9-3-2-4-10-18)23-24-22(26)28-16-21(27)25-12-5-6-13-25/h2-4,7-11,14H,5-6,12-13,15-16H2,1H3