5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methyl-pyrazole-4-carboxamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-3-28-15-9-10-16-17(11-15)29-21(23-16)24-20(27)18-13(2)25-26(19(18)22)12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,23,24,27)