5-[(3-nitro-2-oxidanyl-phenyl)methyl]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: 5-[(3-nitro-2-oxidanyl-phenyl)methyl]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: 3-benzyl-5-[(2-hydroxy-3-nitro-phenyl)methyl]-2-thioxo-thiazolidin-4-one CAS Name: 5-[(2-hydroxy-3-nitrophenyl)methyl]-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinone IUPAC Name: 3-benzyl-5-[(2-hydroxy-3-nitrophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: 3-benzyl-5-(2-hydroxy-3-nitro-benzyl)-2-thioxo-thiazolidin-4-one Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(SC2=S)CC3=C(C(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(SC2=S)CC3=C(C(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H14N2O4S2/c20-15-12(7-4-8-13(15)19(22)23)9-14-16(21)18(17(24)25-14)10-11-5-2-1-3-6-11/h1-8,14,20H,9-10H2