methyl 5-methyl-4-phenyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(1H-pyrazol-5-ylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(1H-pyrazol-5-ylmethylthiocarbamoylamino)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)NCC2=CC=NN2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NCC2=CC=NN2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S2/c1-11-14(12-6-4-3-5-7-12)15(17(23)24-2)16(26-11)21-18(25)19-10-13-8-9-20-22-13/h3-9H,10H2,1-2H3,(H,20,22)(H2,19,21,25)