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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C31H35N5OS MolecularWeight: 525.7075

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H35N5OS/c1-2-36-30(27-17-10-5-11-18-27)32-33-31(36)38-24-12-19-28(37)34-20-22-35(23-21-34)29(25-13-6-3-7-14-25)26-15-8-4-9-16-26/h3-11,13-18,29H,2,12,19-24H2,1H3