N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)NCCCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)NCCCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H17ClN4OS/c21-14-7-2-1-6-13(14)16-12-17(25-24-16)20(26)22-11-5-10-19-23-15-8-3-4-9-18(15)27-19/h1-4,6-9,12H,5,10-11H2,(H,22,26)(H,24,25)