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

Systemtic Name: N-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide Openeye Name: N-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenyl-1,3-benzothiazole-2-carboxamidine CAS Name: N-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide IUPAC Name: N-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide Traditional Name: N-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-N'-phenyl-1,3-benzothiazole-2-carboxamidine Formula: C21H15N5O3S MolecularWeight: 417.4405

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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=CC4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=C(C2=NC3=CC=CC=C3S2)NNC=C4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O3S/c27-18-11-10-16(26(28)29)12-14(18)13-22-25-20(23-15-6-2-1-3-7-15)21-24-17-8-4-5-9-19(17)30-21/h1-13,22H,(H,23,25)