2-methyl-4-(5-nitro-1,3-benzothiazol-2-yl)benzenecarbonitrile

Systemtic Name: 2-methyl-4-(5-nitro-1,3-benzothiazol-2-yl)benzenecarbonitrile Openeye Name: 2-methyl-4-(5-nitro-1,3-benzothiazol-2-yl)benzonitrile CAS Name: 2-methyl-4-(5-nitro-1,3-benzothiazol-2-yl)benzonitrile IUPAC Name: 2-methyl-4-(5-nitro-1,3-benzothiazol-2-yl)benzonitrile Traditional Name: 2-methyl-4-(5-nitro-1,3-benzothiazol-2-yl)benzonitrile Formula: C15H9N3O2S MolecularWeight: 295.31586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H9N3O2S/c1-9-6-10(2-3-11(9)8-16)15-17-13-7-12(18(19)20)4-5-14(13)21-15/h2-7H,1H3