N-(3,5-dimethylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(3,5-dimethylphenyl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(3,5-dimethylphenyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3,5-dimethylphenyl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H17N3O3S2/c1-11-6-12(2)8-15(7-11)21-18(23)14-4-5-17(16(9-14)22(24)25)27-19-20-13(3)10-26-19/h4-10H,1-3H3,(H,21,23)