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

Systemtic Name: 1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Openeye Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-propanone IUPAC Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Traditional Name: 1-[4-(cyclopropanecarbonyl)piperazino]-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propan-1-one Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H27N5O3S/c1-2-29-17-7-5-15(6-8-17)19-22-23-21(30)26(19)10-9-18(27)24-11-13-25(14-12-24)20(28)16-3-4-16/h5-8,16H,2-4,9-14H2,1H3,(H,23,30)