2-chloranyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-4-nitro-benzamide CAS Name: 2-chloro-N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-[4-(methylthio)phenyl]thiazol-2-yl]-4-nitro-benzamide Formula: C17H12ClN3O3S2 MolecularWeight: 405.87848

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O3S2/c1-25-12-5-2-10(3-6-12)15-9-26-17(19-15)20-16(22)13-7-4-11(21(23)24)8-14(13)18/h2-9H,1H3,(H,19,20,22)