1-[4-(2-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[4-(2-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-chlorobenzoyl)-3-methyl-piperazin-1-yl]ethanone CAS Name: 1-[4-[(2-chlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-chlorobenzoyl)-3-methylpiperazin-1-yl]ethanone Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-chlorobenzoyl)-3-methyl-piperazino]ethanone Formula: C29H28ClN5O2S MolecularWeight: 546.08292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2Cl)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H28ClN5O2S/c1-21-19-33(16-17-34(21)28(37)24-14-8-9-15-25(24)30)27(36)20-38-29-32-31-26(18-22-10-4-2-5-11-22)35(29)23-12-6-3-7-13-23/h2-15,21H,16-20H2,1H3