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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H21ClN4O2S/c1-3-4-11-26-19(22)18(13(2)25-26)20(27)23-12-14-9-10-16(28-14)21-24-15-7-5-6-8-17(15)29-21/h5-10H,3-4,11-12H2,1-2H3,(H,23,27)