N-[(E)-2-(3H-benzo[e]benzimidazol-2-ylsulfanyl)ethylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-2-(3H-benzo[e]benzimidazol-2-ylsulfanyl)ethylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-2-(3H-benzo[e]benzimidazol-2-ylsulfanyl)ethylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-2-(3H-benzo[e]benzimidazol-2-ylthio)ethylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-2-(3H-benzo[e]benzimidazol-2-ylsulfanyl)ethylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-2-(3H-benzo[e]benzimidazol-2-ylthio)ethylideneamino]-(2,4-dinitrophenyl)amine Formula: C19H14N6O4S MolecularWeight: 422.41726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(N3)SCC=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(N3)SC/C=N/NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H14N6O4S/c26-24(27)13-6-8-15(17(11-13)25(28)29)23-20-9-10-30-19-21-16-7-5-12-3-1-2-4-14(12)18(16)22-19/h1-9,11,23H,10H2,(H,21,22)/b20-9+