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

Systemtic Name: 2-chloranyl-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide Openeye Name: 2-chloro-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide CAS Name: 2-chloro-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide Traditional Name: 2-chloro-N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N2CC#C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N2CC#C

InChI

InChI=1S/C19H14ClN3O3S/c1-4-7-22-16-8-11(2)12(3)9-17(16)27-19(22)21-18(24)14-10-13(23(25)26)5-6-15(14)20/h1,5-6,8-10H,7H2,2-3H3