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

Systemtic Name: methyl 5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(1-methyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(1-methylpyrazol-3-yl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(1-methylpyrazol-3-yl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S2/c1-11-14(12-7-5-4-6-8-12)15(17(23)24-3)16(26-11)20-18(25)19-13-9-10-22(2)21-13/h4-10H,1-3H3,(H2,19,20,21,25)