4-[[4-(2-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-(2-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-(2-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-(2-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-(2-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-(2-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=CC=C5OC)C6=CC=CC=C6

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)CCCSC4=NN=C(N4C5=CC=CC=C5OC)C6=CC=CC=C6

InChI

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