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

Systemtic Name: N-(4-methyl-2-oxidanyl-phenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(2-hydroxy-4-methyl-phenyl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(2-hydroxy-4-methylphenyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(2-hydroxy-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2-hydroxy-4-methyl-phenyl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4S2/c1-10-3-5-13(15(22)7-10)20-17(23)12-4-6-16(14(8-12)21(24)25)27-18-19-11(2)9-26-18/h3-9,22H,1-2H3,(H,20,23)