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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(pyrrolidine-1-carbonyl)piperazino]propan-1-one Formula: C21H28N6O2S MolecularWeight: 428.55102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C21H28N6O2S/c1-16-4-6-17(7-5-16)19-22-23-20(30)27(19)11-8-18(28)24-12-14-26(15-13-24)21(29)25-9-2-3-10-25/h4-7H,2-3,8-15H2,1H3,(H,23,30)