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

Systemtic Name: 5-chloranyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-pyrazole-4-carboxamide Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(N(N=C3C)CC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C21H19ClN4OS/c1-12-9-13(2)18-16(10-12)28-21(23-18)24-20(27)17-14(3)25-26(19(17)22)11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,23,24,27)