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

Systemtic Name: (2-cyanophenyl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (2-cyanophenyl)methyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid (2-cyanobenzyl) ester Formula: C19H13N3O4S2 MolecularWeight: 411.45422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O4S2/c1-12-11-27-19(21-12)28-17-7-6-13(8-16(17)22(24)25)18(23)26-10-15-5-3-2-4-14(15)9-20/h2-8,11H,10H2,1H3