methyl 5-methyl-2-[(4-methylpyrazol-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[(4-methylpyrazol-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2C=C(C=N2)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2C=C(C=N2)C)C(=O)OC

InChI

InChI=1S/C12H13N3O2S2/c1-7-5-13-15(6-7)12(18)14-10-9(11(16)17-3)4-8(2)19-10/h4-6H,1-3H3,(H,14,18)