3-(3-imidazol-1-ylpropylamino)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one

Systemtic Name: 3-(3-imidazol-1-ylpropylamino)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Openeye Name: 3-(3-imidazol-1-ylpropylamino)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one CAS Name: 3-[3-(1-imidazolyl)propylamino]-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one IUPAC Name: 3-(3-imidazol-1-ylpropylamino)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydro-2-benzothiophen-4-one Traditional Name: 3-(3-imidazol-1-ylpropylamino)-6,6-dimethyl-1-(1H-pyrazol-5-yl)-5,7-dihydroisobenzothiophen-4-one Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)NCCCN3C=CN=C3)C4=CC=NN4)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)NCCCN3C=CN=C3)C4=CC=NN4)C

InChI

InChI=1S/C19H23N5OS/c1-19(2)10-13-16(15(25)11-19)18(26-17(13)14-4-6-22-23-14)21-5-3-8-24-9-7-20-12-24/h4,6-7,9,12,21H,3,5,8,10-11H2,1-2H3,(H,22,23)