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

Systemtic Name: methyl 5-ethyl-2-[(4-methylpyrazol-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2C=C(C=N2)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2C=C(C=N2)C)C(=O)OC

InChI

InChI=1S/C13H15N3O2S2/c1-4-9-5-10(12(17)18-3)11(20-9)15-13(19)16-7-8(2)6-14-16/h5-7H,4H2,1-3H3,(H,15,19)