4-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-4-naphthalen-1-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-1-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-1-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-[1-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-1-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-(1-naphthoyl)piperazino]butan-1-one Formula: C35H35N5O3S MolecularWeight: 605.7491

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

Isomeric SMILES

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

InChI

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