N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-phenyl-propionamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CCC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CCC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C20H17ClN4OS/c1-13-12-17(22-18(26)11-10-14-6-3-2-4-7-14)25(24-13)20-23-19-15(21)8-5-9-16(19)27-20/h2-9,12H,10-11H2,1H3,(H,22,26)