4-methyl-2-(3-nitro-4-propan-2-ylsulfanyl-phenyl)-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-(3-nitro-4-propan-2-ylsulfanyl-phenyl)-1,3-thiazole-5-carboxylic acid Openeye Name: 2-(4-isopropylsulfanyl-3-nitro-phenyl)-4-methyl-thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[3-nitro-4-(propan-2-ylthio)phenyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-(3-nitro-4-propan-2-ylsulfanylphenyl)-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[4-(isopropylthio)-3-nitro-phenyl]-4-methyl-thiazole-5-carboxylic acid Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC(=C(C=C2)SC(C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC(=C(C=C2)SC(C)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H14N2O4S2/c1-7(2)21-11-5-4-9(6-10(11)16(19)20)13-15-8(3)12(22-13)14(17)18/h4-7H,1-3H3,(H,17,18)