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

Systemtic Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-4-naphthalen-2-ylcarbonyl-piperazin-1-yl)butan-1-one Openeye Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]butan-1-one CAS Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-[2-naphthalenyl(oxo)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]butan-1-one Traditional Name: 4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-(2-naphthoyl)piperazino]butan-1-one Formula: C35H35N5O3S MolecularWeight: 605.7491

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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=C(C=C5)OC)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)OC)C6=CC=CC=C6

InChI

InChI=1S/C35H35N5O3S/c1-25-24-38(20-21-39(25)34(42)29-15-14-26-9-6-7-12-28(26)23-29)32(41)13-8-22-44-35-37-36-33(27-10-4-3-5-11-27)40(35)30-16-18-31(43-2)19-17-30/h3-7,9-12,14-19,23,25H,8,13,20-22,24H2,1-2H3