5-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-nitro-benzenecarbonitrile

Systemtic Name: 5-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-nitro-benzenecarbonitrile Openeye Name: 5-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-nitro-benzonitrile CAS Name: 5-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-nitrobenzonitrile IUPAC Name: 5-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-nitrobenzonitrile Traditional Name: 5-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-nitro-benzonitrile Formula: C14H6ClN3O2S2 MolecularWeight: 347.79934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=NC3=C(S2)C=CC(=C3)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1SC2=NC3=C(S2)C=CC(=C3)Cl)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H6ClN3O2S2/c15-9-1-4-13-11(6-9)17-14(22-13)21-10-2-3-12(18(19)20)8(5-10)7-16/h1-6H