N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-nitrophenyl)thio]acetamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S2/c1-10-17-14-7-2-11(8-15(14)24-10)18-16(20)9-23-13-5-3-12(4-6-13)19(21)22/h2-8H,9H2,1H3,(H,18,20)