5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methyl-4-naphthalen-1-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-1-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-1-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-[1-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-1-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-(1-naphthoyl)piperazino]pentan-1-one Formula: C36H37N5O3S MolecularWeight: 619.77568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)CCCCSC4=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)CCCCSC4=NN=C(N4C5=CC=C(C=C5)OC)C6=CC=CC=C6

InChI

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