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

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(1-naphthoyl)piperazino]propan-1-one Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H27N5O2S/c1-19-6-4-9-21(18-19)25-28-29-27(35)32(25)13-12-24(33)30-14-16-31(17-15-30)26(34)23-11-5-8-20-7-2-3-10-22(20)23/h2-11,18H,12-17H2,1H3,(H,29,35)