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

Systemtic Name: methyl 4-azanyl-5-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)pyrazole-3-carboxylate CAS Name: 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)pyrazole-3-carboxylate Traditional Name: 4-amino-5-(1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C(C(=N2)C3=NC4=CC=CC=C4S3)N)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C(=N2)C3=NC4=CC=CC=C4S3)N)C(=O)OC

InChI

InChI=1S/C20H18N4O2S/c1-3-12-8-10-13(11-9-12)24-18(20(25)26-2)16(21)17(23-24)19-22-14-6-4-5-7-15(14)27-19/h4-11H,3,21H2,1-2H3