2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-benzenecarbonitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-benzonitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-5-nitrobenzonitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrobenzonitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-5-nitro-benzonitrile Formula: C14H7N3O2S2 MolecularWeight: 313.35428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H7N3O2S2/c15-8-9-7-10(17(18)19)5-6-12(9)20-14-16-11-3-1-2-4-13(11)21-14/h1-7H