1-[4-(2,4-dichlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-[4-(2,4-dichlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2,4-dichlorobenzoyl)-3-methyl-piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[(2,4-dichlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]pentan-1-one Traditional Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2,4-dichlorobenzoyl)-3-methyl-piperazino]pentan-1-one Formula: C33H35Cl2N5O3S MolecularWeight: 652.6337

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C33H35Cl2N5O3S/c1-23-22-38(17-18-39(23)32(42)28-16-11-25(34)21-29(28)35)31(41)10-6-7-19-44-33-37-36-30(20-24-8-4-3-5-9-24)40(33)26-12-14-27(43-2)15-13-26/h3-5,8-9,11-16,21,23H,6-7,10,17-20,22H2,1-2H3