N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3-nitro-benzamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3-nitro-benzamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3-nitro-benzamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3-nitrobenzamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3-nitrobenzamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-3-nitro-benzamide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N3O3S/c1-9-7-13-15(8-10(9)2)24-17(18-13)19-16(21)12-5-4-6-14(11(12)3)20(22)23/h4-8H,1-3H3,(H,18,19,21)