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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxamide Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=NC3=CC=CC=C3S2)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=NC3=CC=CC=C3S2)Cl)CC(C)C

InChI

InChI=1S/C16H17ClN4OS/c1-9(2)8-21-14(17)13(10(3)20-21)15(22)19-16-18-11-6-4-5-7-12(11)23-16/h4-7,9H,8H2,1-3H3,(H,18,19,22)