N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-5-ethyl-4-pyrazolecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(3-chlorophenyl)-5-ethyl-pyrazole-4-carboxamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C

InChI

InChI=1S/C21H18ClN5O2S/c1-3-18-16(11-23-27(18)15-6-4-5-13(22)9-15)20(29)26-21-25-17-8-7-14(24-12(2)28)10-19(17)30-21/h4-11H,3H2,1-2H3,(H,24,28)(H,25,26,29)