5-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 5-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole CAS Name: 5-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylthio]-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-[(4-nitrophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-(4-nitrobenzyl)-3-[(4-nitrobenzyl)thio]-[1,2,4]triazin[5,6-b]indole Formula: C23H16N6O4S MolecularWeight: 472.47594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])N=C(N=N3)SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])N=C(N=N3)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H16N6O4S/c30-28(31)17-9-5-15(6-10-17)13-27-20-4-2-1-3-19(20)21-22(27)24-23(26-25-21)34-14-16-7-11-18(12-8-16)29(32)33/h1-12H,13-14H2