methyl 3-chloranyl-6-[(1-methylpyrazol-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(1-methylpyrazol-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1-methylpyrazol-3-yl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-methyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1-methylpyrazol-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1-methylpyrazol-3-yl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C15H13ClN4O2S2 MolecularWeight: 380.87232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CN1C=CC(=N1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C15H13ClN4O2S2/c1-20-6-5-11(19-20)18-15(23)17-8-3-4-9-10(7-8)24-13(12(9)16)14(21)22-2/h3-7H,1-2H3,(H2,17,18,19,23)