1-(3-methyl-4-naphthalen-1-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-1-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-1-carbonyl)piperazin-1-yl]butan-1-one CAS Name: 1-[3-methyl-4-[1-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-1-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-(1-naphthoyl)piperazino]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=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)CCCSC4=NN=C(N4C5=CC=CC=C5)CC6=CC=CC=C6

InChI

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