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

Systemtic Name: methyl 4-azanyl-5-(1,3-benzothiazol-2-yl)-2-(4-cyanophenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-cyanophenyl)pyrazole-3-carboxylate CAS Name: 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-cyanophenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-cyanophenyl)pyrazole-3-carboxylate Traditional Name: 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-cyanophenyl)pyrazole-3-carboxylic acid methyl ester Formula: C19H13N5O2S MolecularWeight: 375.40382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N5O2S/c1-26-19(25)17-15(21)16(18-22-13-4-2-3-5-14(13)27-18)23-24(17)12-8-6-11(10-20)7-9-12/h2-9H,21H2,1H3