2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C27H25N5OS MolecularWeight: 467.5853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N5OS/c33-24(32-18-16-31(17-19-32)23-14-8-3-9-15-23)20-34-27-28-25(21-10-4-1-5-11-21)26(29-30-27)22-12-6-2-7-13-22/h1-15H,16-20H2