cyanomethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: cyanomethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: cyanomethyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid cyanomethyl ester Formula: C13H9N3O4S2 MolecularWeight: 335.35826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4S2/c1-8-7-21-13(15-8)22-11-3-2-9(6-10(11)16(18)19)12(17)20-5-4-14/h2-3,6-7H,5H2,1H3