N-(1,3-benzothiazol-2-ylimino)-4-iodanyl-N'-[(3-nitrophenyl)amino]benzenecarboximidamide

Systemtic Name: N-(1,3-benzothiazol-2-ylimino)-4-iodanyl-N'-[(3-nitrophenyl)amino]benzenecarboximidamide Openeye Name: N-(1,3-benzothiazol-2-ylimino)-4-iodo-N'-(3-nitroanilino)benzamidine CAS Name: N-(1,3-benzothiazol-2-ylimino)-4-iodo-N'-(3-nitroanilino)benzenecarboximidamide IUPAC Name: N-(1,3-benzothiazol-2-ylimino)-4-iodo-N'-(3-nitroanilino)benzenecarboximidamide Traditional Name: N-(1,3-benzothiazol-2-ylimino)-4-iodo-N'-(3-nitroanilino)benzamidine Formula: C20H13IN6O2S MolecularWeight: 528.32569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N=NC(=NNC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N=N/C(=N/NC3=CC(=CC=C3)[N+](=O)[O-])/C4=CC=C(C=C4)I

InChI

InChI=1S/C20H13IN6O2S/c21-14-10-8-13(9-11-14)19(24-23-15-4-3-5-16(12-15)27(28)29)25-26-20-22-17-6-1-2-7-18(17)30-20/h1-12,23H/b24-19+,26-25?