N-(2-ethyl-6-methyl-phenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O3S2/c1-4-14-7-5-6-12(2)18(14)22-19(24)15-8-9-17(16(10-15)23(25)26)28-20-21-13(3)11-27-20/h5-11H,4H2,1-3H3,(H,22,24)