methyl 3-chloranyl-6-[(4-methylpyrazol-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-methylpyrazol-1-yl)carbothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-methylpyrazole-1-carbothioyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-methylpyrazole-1-carbothioyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-methylpyrazole-1-carbothioyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C15H12ClN3O2S2 MolecularWeight: 365.85768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)C(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=CN(N=C1)C(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C15H12ClN3O2S2/c1-8-6-17-19(7-8)15(22)18-9-3-4-10-11(5-9)23-13(12(10)16)14(20)21-2/h3-7H,1-2H3,(H,18,22)