N-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide

Systemtic Name: N-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide Openeye Name: N-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenyl-1,3-benzothiazole-2-carboxamidine CAS Name: N-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide IUPAC Name: N-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide Traditional Name: N-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenyl-1,3-benzothiazole-2-carboxamidine Formula: C21H14BrN5O3S MolecularWeight: 496.33656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3S2)NNC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3S2)NNC=C4C=C(C=C(C4=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN5O3S/c22-16-11-15(27(29)30)10-13(19(16)28)12-23-26-20(24-14-6-2-1-3-7-14)21-25-17-8-4-5-9-18(17)31-21/h1-12,23H,(H,24,26)