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

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-pyrazole-3-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-N-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1,4-dimethylpyrazole-3-carboxamide Traditional Name: N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1,4-dimethyl-pyrazole-3-carboxamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl)C

Isomeric SMILES

CC1=CN(N=C1C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl)C

InChI

InChI=1S/C20H17ClN4OS/c1-13-11-24(2)23-18(13)19(26)25(12-14-6-4-3-5-7-14)20-22-16-9-8-15(21)10-17(16)27-20/h3-11H,12H2,1-2H3