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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)CCCSC4=NN=C(N4C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)CCCSC4=NN=C(N4C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C35H35N5O2S/c1-26-25-38(20-21-39(26)34(42)30-19-18-28-13-8-9-14-29(28)24-30)33(41)17-10-22-43-35-37-36-32(23-27-11-4-2-5-12-27)40(35)31-15-6-3-7-16-31/h2-9,11-16,18-19,24,26H,10,17,20-23,25H2,1H3