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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)CCCCSC4=NN=C(N4C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)CCCCSC4=NN=C(N4C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C36H37N5O2S/c1-27-26-39(22-23-40(27)35(43)32-20-12-16-29-15-8-9-19-31(29)32)34(42)21-10-11-24-44-36-38-37-33(25-28-13-4-2-5-14-28)41(36)30-17-6-3-7-18-30/h2-9,12-20,27H,10-11,21-26H2,1H3