1-(3-methyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl)-4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one

Systemtic Name: 1-(3-methyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl)-4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[3-methyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-[3-methyl-4-(1-naphthoyl)piperazino]-4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C35H35N5O2S MolecularWeight: 589.7497

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)CCCSC4=NN=C(N4C5=CC=C(C=C5)C)C6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)CCCSC4=NN=C(N4C5=CC=C(C=C5)C)C6=CC=CC=C6

InChI

InChI=1S/C35H35N5O2S/c1-25-17-19-29(20-18-25)40-33(28-11-4-3-5-12-28)36-37-35(40)43-23-9-16-32(41)38-21-22-39(26(2)24-38)34(42)31-15-8-13-27-10-6-7-14-30(27)31/h3-8,10-15,17-20,26H,9,16,21-24H2,1-2H3