N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3)C

InChI

InChI=1S/C21H23N3OS/c1-14-12-15(2)24(23-14)11-5-10-22-21(25)19-13-17-9-8-16-6-3-4-7-18(16)20(17)26-19/h3-4,6-7,12-13H,5,8-11H2,1-2H3,(H,22,25)