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

Systemtic Name: 1-(3-methyl-4-naphthalen-2-ylcarbonyl-piperazin-1-yl)-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[3-methyl-4-[2-naphthalenyl(oxo)methyl]-1-piperazinyl]-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]-5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[3-methyl-4-(2-naphthoyl)piperazino]-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C36H37N5O2S MolecularWeight: 603.77628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)CCCCSC4=NN=C(N4C5=CC=CC=C5)C6=CC=C(C=C6)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)CCCCSC4=NN=C(N4C5=CC=CC=C5)C6=CC=C(C=C6)C

InChI

InChI=1S/C36H37N5O2S/c1-26-15-17-29(18-16-26)34-37-38-36(41(34)32-12-4-3-5-13-32)44-23-9-8-14-33(42)39-21-22-40(27(2)25-39)35(43)31-20-19-28-10-6-7-11-30(28)24-31/h3-7,10-13,15-20,24,27H,8-9,14,21-23,25H2,1-2H3