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

Systemtic Name: [4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-3-nitro-phenyl]-phenyl-methanone Formula: C28H18N4O3S MolecularWeight: 490.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H18N4O3S/c33-27(21-14-8-3-9-15-21)22-16-17-24(23(18-22)32(34)35)36-28-29-25(19-10-4-1-5-11-19)26(30-31-28)20-12-6-2-7-13-20/h1-18H