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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H35N5O2S/c1-25-14-18-31(19-15-25)40-33(28-10-4-3-5-11-28)36-37-35(40)43-22-8-13-32(41)38-20-21-39(26(2)24-38)34(42)30-17-16-27-9-6-7-12-29(27)23-30/h3-7,9-12,14-19,23,26H,8,13,20-22,24H2,1-2H3