2,5-bis(chloranyl)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 2,5-dichloro-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 2,5-dichloro-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 2,5-dichloro-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 2,5-dichloro-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C17H13Cl2N3O3S2 MolecularWeight: 442.33942

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H13Cl2N3O3S2/c1-26-7-6-21-14-5-3-11(22(24)25)9-15(14)27-17(21)20-16(23)12-8-10(18)2-4-13(12)19/h2-5,8-9H,6-7H2,1H3