4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]benzonitrile Formula: C15H9N3O2S2 MolecularWeight: 327.38086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H9N3O2S2/c16-8-10-1-3-11(4-2-10)9-21-15-17-13-6-5-12(18(19)20)7-14(13)22-15/h1-7H,9H2