methyl 4-azanyl-5-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 4-azanyl-5-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)pyrazole-3-carboxylate CAS Name: 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)pyrazole-3-carboxylate Traditional Name: 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)pyrazole-3-carboxylic acid methyl ester Formula: C18H13ClN4O2S MolecularWeight: 384.83942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)N

Isomeric SMILES

COC(=O)C1=C(C(=NN1C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C18H13ClN4O2S/c1-25-18(24)16-14(20)15(17-21-12-4-2-3-5-13(12)26-17)22-23(16)11-8-6-10(19)7-9-11/h2-9H,20H2,1H3