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

Systemtic Name: 1-[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-nitro-phenyl]ethanone Formula: C23H16N4O3S MolecularWeight: 428.46314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O3S/c1-15(28)18-12-13-20(19(14-18)27(29)30)31-23-24-21(16-8-4-2-5-9-16)22(25-26-23)17-10-6-3-7-11-17/h2-14H,1H3