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

Systemtic Name: N-(4-ethylsulfonylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(4-ethylsulfonylphenyl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(4-ethylsulfonylphenyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(4-ethylsulfonylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(4-esylphenyl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C19H17N3O5S3 MolecularWeight: 463.55038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S3/c1-3-30(26,27)15-7-5-14(6-8-15)21-18(23)13-4-9-17(16(10-13)22(24)25)29-19-20-12(2)11-28-19/h4-11H,3H2,1-2H3,(H,21,23)