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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)Cl)CC(C)C

InChI

InChI=1S/C21H21ClN4O2S/c1-12(2)11-26-19(22)18(13(3)25-26)20(27)23-10-14-8-9-16(28-14)21-24-15-6-4-5-7-17(15)29-21/h4-9,12H,10-11H2,1-3H3,(H,23,27)