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

Systemtic Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-methyl-4-(4-phenylphenyl)carbonyl-piperazin-1-yl]butan-1-one Openeye Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-methyl-4-(4-phenylbenzoyl)piperazin-1-yl]butan-1-one CAS Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[3-methyl-4-[oxo-(4-phenylphenyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-methyl-4-(4-phenylbenzoyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[3-methyl-4-(4-phenylbenzoyl)piperazino]butan-1-one Formula: C32H35N5O2S MolecularWeight: 553.7176

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)N2CCN(C(C2)C)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H35N5O2S/c1-3-36-30(27-13-8-5-9-14-27)33-34-32(36)40-22-10-15-29(38)35-20-21-37(24(2)23-35)31(39)28-18-16-26(17-19-28)25-11-6-4-7-12-25/h4-9,11-14,16-19,24H,3,10,15,20-23H2,1-2H3