(2R,3R,10bS)-3-(1-adamantylcarbonyl)-2-(4-methylsulfanylphenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile

Systemtic Name: (2R,3R,10bS)-3-(1-adamantylcarbonyl)-2-(4-methylsulfanylphenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Openeye Name: (2R,3R,10bS)-3-(adamantane-1-carbonyl)-2-(4-methylsulfanylphenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile CAS Name: (2R,3R,10bS)-3-[1-adamantyl(oxo)methyl]-2-[4-(methylthio)phenyl]-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile IUPAC Name: (2R,3R,10bS)-3-(adamantane-1-carbonyl)-2-(4-methylsulfanylphenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Traditional Name: (2R,3R,10bS)-3-(adamantane-1-carbonyl)-2-[4-(methylthio)phenyl]-3,10b-dihydro-2H-pyrrol[2,1-a]isoquinoline-1,1-dicarbonitrile Formula: C32H31N3OS MolecularWeight: 505.67304

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2C(N3C=CC4=CC=CC=C4C3C2(C#N)C#N)C(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CSC1=CC=C(C=C1)[C@H]2[C@@H](N3C=CC4=CC=CC=C4[C@H]3C2(C#N)C#N)C(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C32H31N3OS/c1-37-25-8-6-24(7-9-25)27-28(30(36)31-15-20-12-21(16-31)14-22(13-20)17-31)35-11-10-23-4-2-3-5-26(23)29(35)32(27,18-33)19-34/h2-11,20-22,27-29H,12-17H2,1H3/t20?,21?,22?,27-,28+,29-,31?/m0/s1