methyl 3-chloranyl-6-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)amino]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H17ClN4O2S2 MolecularWeight: 408.92548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H17ClN4O2S2/c1-8-14(9(2)22(3)21-8)20-17(25)19-10-5-6-11-12(7-10)26-15(13(11)18)16(23)24-4/h5-7H,1-4H3,(H2,19,20,25)