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

Systemtic Name: 1-[3-methyl-4-(4-phenylphenyl)carbonyl-piperazin-1-yl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[3-methyl-4-(4-phenylbenzoyl)piperazin-1-yl]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[3-methyl-4-[oxo-(4-phenylphenyl)methyl]-1-piperazinyl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[3-methyl-4-(4-phenylbenzoyl)piperazin-1-yl]-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[3-methyl-4-(4-phenylbenzoyl)piperazino]-2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C32H29N5O2S2 MolecularWeight: 579.73496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C32H29N5O2S2/c1-23-21-35(18-19-36(23)31(39)26-16-14-25(15-17-26)24-9-4-2-5-10-24)29(38)22-41-32-34-33-30(28-13-8-20-40-28)37(32)27-11-6-3-7-12-27/h2-17,20,23H,18-19,21-22H2,1H3