(8aR)-5-azanyl-2-ethyl-8-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile

Systemtic Name: (8aR)-5-azanyl-2-ethyl-8-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Openeye Name: (8aR)-5-amino-2-ethyl-8-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile CAS Name: (8aR)-5-amino-2-ethyl-8-[4-(methylthio)phenyl]-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile IUPAC Name: (8aR)-5-amino-2-ethyl-8-(4-methylsulfanylphenyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Traditional Name: (8aR)-5-amino-2-ethyl-8-[4-(methylthio)phenyl]-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Formula: C21H21N5S MolecularWeight: 375.48994

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=C(C=C3)SC

Isomeric SMILES

CCN1CC=C2[C@H](C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H21N5S/c1-3-26-9-8-16-17(11-26)19(14-4-6-15(27-2)7-5-14)21(12-23,13-24)18(10-22)20(16)25/h4-8,17,19H,3,9,11,25H2,1-2H3/t17-,19?/m0/s1