3-[(4-nitrophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine CAS Name: 3-[(4-nitrophenyl)methylthio]-5,6-diphenyl-1,2,4-triazine IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine Traditional Name: 3-[(4-nitrobenzyl)thio]-5,6-diphenyl-1,2,4-triazine Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H16N4O2S/c27-26(28)19-13-11-16(12-14-19)15-29-22-23-20(17-7-3-1-4-8-17)21(24-25-22)18-9-5-2-6-10-18/h1-14H,15H2