2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(phenylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(phenylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzoylpiperazin-1-yl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-(4-benzoyl-1-piperazinyl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone IUPAC Name: 1-(4-benzoylpiperazin-1-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Traditional Name: 1-(4-benzoylpiperazino)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3S/c1-30-18-9-7-16(8-10-18)20-23-24-22(31)27(20)15-19(28)25-11-13-26(14-12-25)21(29)17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,24,31)