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

Systemtic Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl)pentan-1-one Openeye Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one CAS Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-[3-methyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-1-pentanone IUPAC Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one Traditional Name: 5-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-[3-methyl-4-(1-naphthoyl)piperazino]pentan-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)CCCCSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

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

InChI

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