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

Systemtic Name: 2-chloranyl-N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide Openeye Name: 2-chloro-N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide CAS Name: 2-chloro-N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5-nitrobenzamide Traditional Name: 2-chloro-N-[5,6-dimethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-5-nitro-benzamide Formula: C19H18ClN3O3S2 MolecularWeight: 435.94752

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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)N2CCSC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N2CCSC

InChI

InChI=1S/C19H18ClN3O3S2/c1-11-8-16-17(9-12(11)2)28-19(22(16)6-7-27-3)21-18(24)14-10-13(23(25)26)4-5-15(14)20/h4-5,8-10H,6-7H2,1-3H3