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

Systemtic Name: 1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Openeye Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-propanone IUPAC Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Traditional Name: 1-[4-(cyclopropanecarbonyl)piperazino]-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C20H25N5O2S/c1-14-3-2-4-16(13-14)18-21-22-20(28)25(18)8-7-17(26)23-9-11-24(12-10-23)19(27)15-5-6-15/h2-4,13,15H,5-12H2,1H3,(H,22,28)