methyl 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(1,3-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(1,3-dimethylpyrazol-4-yl)methylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H18N4O2S2 MolecularWeight: 338.44832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCC2=CN(N=C2C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCC2=CN(N=C2C)C)C(=O)OC

InChI

InChI=1S/C14H18N4O2S2/c1-8-5-11(13(19)20-4)12(22-8)16-14(21)15-6-10-7-18(3)17-9(10)2/h5,7H,6H2,1-4H3,(H2,15,16,21)