N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-6-nitro-1,3-benzothiazol-2-amine

Systemtic Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methylideneamino]-6-nitro-1,3-benzothiazol-2-amine Openeye Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-phenyl]methyleneamino]-6-nitro-1,3-benzothiazol-2-amine CAS Name: N-[(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitrophenyl]methylideneamino]-6-nitro-1,3-benzothiazol-2-amine IUPAC Name: N-[(E)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-6-nitro-1,3-benzothiazol-2-amine Traditional Name: [(E)-[4-(1,3-benzothiazol-2-ylthio)-3-nitro-benzylidene]amino]-(6-nitro-1,3-benzothiazol-2-yl)amine Formula: C21H12N6O4S3 MolecularWeight: 508.55278

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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=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)/C=N/NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H12N6O4S3/c28-26(29)13-6-7-15-19(10-13)32-20(23-15)25-22-11-12-5-8-18(16(9-12)27(30)31)34-21-24-14-3-1-2-4-17(14)33-21/h1-11H,(H,23,25)/b22-11+