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

Systemtic Name: 1-(4-cyclopropylcarbonylpiperazin-1-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Openeye Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone IUPAC Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Traditional Name: 1-[4-(cyclopropanecarbonyl)piperazino]-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C19H23N5O3S/c1-27-15-6-4-13(5-7-15)17-20-21-19(28)24(17)12-16(25)22-8-10-23(11-9-22)18(26)14-2-3-14/h4-7,14H,2-3,8-12H2,1H3,(H,21,28)