5-chloranyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Openeye Name: 5-chloro-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide CAS Name: 5-chloro-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide Traditional Name: 5-chloro-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitro-benzamide Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S2)C

InChI

InChI=1S/C16H12ClN3O3S/c1-9-3-5-13-14(7-9)24-16(19(13)2)18-15(21)11-8-10(17)4-6-12(11)20(22)23/h3-8H,1-2H3