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

Systemtic Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(4-cyclopropylcarbonylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-1-[4-(cyclopropanecarbonyl)piperazino]propan-1-one Formula: C23H30ClN5O2S MolecularWeight: 476.0346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)N2CCN(CC2)C(=O)C3CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)N2CCN(CC2)C(=O)C3CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H30ClN5O2S/c1-2-3-11-28-21(17-6-8-19(24)9-7-17)25-29(23(28)32)12-10-20(30)26-13-15-27(16-14-26)22(31)18-4-5-18/h6-9,18H,2-5,10-16H2,1H3