5-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperazin-1-yl)pentan-1-one

Systemtic Name: 5-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperazin-1-yl)pentan-1-one Openeye Name: 5-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperazin-1-yl)pentan-1-one CAS Name: 5-[[4-(3,4-dichlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(3-methyl-1-piperazinyl)-1-pentanone IUPAC Name: 5-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methylpiperazin-1-yl)pentan-1-one Traditional Name: 5-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-1-(3-methylpiperazino)pentan-1-one Formula: C25H29Cl2N5OS MolecularWeight: 518.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1)C(=O)CCCCSC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H29Cl2N5OS/c1-18-17-31(13-12-28-18)24(33)9-5-6-14-34-25-30-29-23(15-19-7-3-2-4-8-19)32(25)20-10-11-21(26)22(27)16-20/h2-4,7-8,10-11,16,18,28H,5-6,9,12-15,17H2,1H3