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

Systemtic Name: methyl 5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(1-methyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(1-methylpyrazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C12H14N4O2S2 MolecularWeight: 310.39516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)C)C(=O)OC

InChI

InChI=1S/C12H14N4O2S2/c1-7-6-8(11(17)18-3)10(20-7)14-12(19)13-9-4-5-16(2)15-9/h4-6H,1-3H3,(H2,13,14,15,19)