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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C15H18N4OS MolecularWeight: 302.39462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCCC3

InChI

InChI=1S/C15H18N4OS/c1-11-4-6-12(7-5-11)14-16-15(18-17-14)21-10-13(20)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,16,17,18)