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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-pyrrolidino-propan-1-one Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCCC3

InChI

InChI=1S/C16H20N4OS/c1-12-5-4-6-13(11-12)15-17-18-16(22)20(15)10-7-14(21)19-8-2-3-9-19/h4-6,11H,2-3,7-10H2,1H3,(H,18,22)