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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=NN(C=C1NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

InChI

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