N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-4-nitro-aniline

Systemtic Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-4-nitro-aniline Openeye Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyleneamino]-4-nitro-aniline CAS Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methylideneamino]-4-nitroaniline IUPAC Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-4-nitroaniline Traditional Name: [(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]amino]-(4-nitrophenyl)amine Formula: C20H13N5O4S2 MolecularWeight: 451.47832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C=NNC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)/C=N/NC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O4S2/c26-24(27)15-8-6-14(7-9-15)23-21-12-13-5-10-19(17(11-13)25(28)29)31-20-22-16-3-1-2-4-18(16)30-20/h1-12,23H/b21-12+