methyl 4-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-3-oxidanylidene-1H-pyrazole-2-carboxylate

Systemtic Name: methyl 4-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-3-oxidanylidene-1H-pyrazole-2-carboxylate Openeye Name: methyl 4-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-3-oxo-1H-pyrazole-2-carboxylate CAS Name: 4-(1,3-benzothiazol-2-ylthio)-5-methyl-3-oxo-1H-pyrazole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-3-oxo-1H-pyrazole-2-carboxylate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-5-keto-3-methyl-3-pyrazoline-1-carboxylic acid methyl ester Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(=O)OC)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=O)N(N1)C(=O)OC)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H11N3O3S2/c1-7-10(11(17)16(15-7)13(18)19-2)21-12-14-8-5-3-4-6-9(8)20-12/h3-6,15H,1-2H3