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

Systemtic Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-4-naphthalen-2-ylcarbonyl-piperazin-1-yl)pentan-1-one Openeye Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]pentan-1-one CAS Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-[2-naphthalenyl(oxo)methyl]-1-piperazinyl]-1-pentanone IUPAC Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]pentan-1-one Traditional Name: 5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-(2-naphthoyl)piperazino]pentan-1-one Formula: C36H37N5O3S MolecularWeight: 619.77568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC3=CC=CC=C3C=C2)C(=O)CCCCSC4=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)CCCCSC4=NN=C(N4C5=CC=C(C=C5)OC)C6=CC=CC=C6

InChI

InChI=1S/C36H37N5O3S/c1-26-25-39(21-22-40(26)35(43)30-16-15-27-10-6-7-13-29(27)24-30)33(42)14-8-9-23-45-36-38-37-34(28-11-4-3-5-12-28)41(36)31-17-19-32(44-2)20-18-31/h3-7,10-13,15-20,24,26H,8-9,14,21-23,25H2,1-2H3