4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylphenyl)carbonyl-3-methyl-piperazin-1-yl]butan-1-one

Systemtic Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylphenyl)carbonyl-3-methyl-piperazin-1-yl]butan-1-one Openeye Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methyl-piperazin-1-yl]butan-1-one CAS Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-[4-[(4-ethylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-1-butanone IUPAC Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-ethylbenzoyl)-3-methylpiperazin-1-yl]butan-1-one Traditional Name: 4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-ethylbenzoyl)-3-methyl-piperazino]butan-1-one Formula: C32H35N5O2S MolecularWeight: 553.7176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5

InChI

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