N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide Formula: C18H12ClN3O3S2 MolecularWeight: 417.88918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N2C

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])N2C

InChI

InChI=1S/C18H12ClN3O3S2/c1-9-3-5-12(19)16-15(9)21(2)18(27-16)20-17(23)14-8-10-7-11(22(24)25)4-6-13(10)26-14/h3-8H,1-2H3