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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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