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

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

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)CCSC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)CCSC

InChI

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