N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide

Systemtic Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide Openeye Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-nitro-benzamide CAS Name: N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide IUPAC Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide Traditional Name: N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S2/c1-18-13-8-7-12(23-2)9-14(13)24-16(18)17-15(20)10-3-5-11(6-4-10)19(21)22/h3-9H,1-2H3