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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCCC3

InChI

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