N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-benzyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-pyrazole-3-carboxamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4S3)Cl)OC

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4S3)Cl)OC

InChI

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