4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one CAS Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-methoxyphenyl)piperazino]butan-1-one Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O2S/c1-3-30-24(20-10-5-4-6-11-20)26-27-25(30)33-19-9-14-23(31)29-17-15-28(16-18-29)21-12-7-8-13-22(21)32-2/h4-8,10-13H,3,9,14-19H2,1-2H3