1-(3-methyl-4-naphthalen-2-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-2-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-2-carbonyl)piperazin-1-yl]pentan-1-one CAS Name: 1-[3-methyl-4-[2-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-2-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-(2-naphthoyl)piperazino]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)CC6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)CCCCSC4=NN=C(N4C5=CC=CC=C5)CC6=CC=CC=C6

InChI

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