2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]-N-[(5-nitro-2-oxidanyl-phenyl)methyl]ethanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-[4-(p-tolyl)-2-thioxo-thiazol-3-yl]acetamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-3-thiazolyl]acetamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-[4-(p-tolyl)-2-thioxo-4-thiazolin-3-yl]acetamide Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H17N3O4S2/c1-12-2-4-13(5-3-12)16-11-28-19(27)21(16)10-18(24)20-9-14-8-15(22(25)26)6-7-17(14)23/h2-8,11,23H,9-10H2,1H3,(H,20,24)