N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(methylthio)-3-nitro-benzamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O3S2/c1-9-6-10(2)15-14(7-9)25-17(18-15)19-16(21)11-4-5-13(24-3)12(8-11)20(22)23/h4-8H,1-3H3,(H,18,19,21)