4-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-one

Systemtic Name: 4-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-one Openeye Name: 4-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-one CAS Name: 4-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylthio]-6-phenyl-1,2,4-triazin-5-one IUPAC Name: 4-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazin-5-one Traditional Name: 4-(4-nitrobenzyl)-3-[(4-nitrobenzyl)thio]-6-phenyl-1,2,4-triazin-5-one Formula: C23H17N5O5S MolecularWeight: 475.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N(C2=O)CC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O5S/c29-22-21(18-4-2-1-3-5-18)24-25-23(34-15-17-8-12-20(13-9-17)28(32)33)26(22)14-16-6-10-19(11-7-16)27(30)31/h1-13H,14-15H2