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

Systemtic Name: 4-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperazin-2-one Openeye Name: 4-[3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazin-2-one CAS Name: 4-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]-2-piperazinone IUPAC Name: 4-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]piperazin-2-one Traditional Name: 4-[3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazin-2-one Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCNC(=O)C3

InChI

InChI=1S/C16H19N5O2S/c1-11-2-4-12(5-3-11)15-18-19-16(24)21(15)8-6-14(23)20-9-7-17-13(22)10-20/h2-5H,6-10H2,1H3,(H,17,22)(H,19,24)