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

Systemtic Name: (8aR)-5-azanyl-8-(4-methylsulfanylphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Openeye Name: (8aR)-5-amino-8-(4-methylsulfanylphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile CAS Name: (8aR)-5-amino-8-[4-(methylthio)phenyl]-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile IUPAC Name: (8aR)-5-amino-8-(4-methylsulfanylphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Traditional Name: (8aR)-5-amino-8-[4-(methylthio)phenyl]-2-propyl-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Formula: C22H23N5S MolecularWeight: 389.51652

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCN1CC=C2[C@H](C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H23N5S/c1-3-9-27-10-8-17-18(12-27)20(15-4-6-16(28-2)7-5-15)22(13-24,14-25)19(11-23)21(17)26/h4-8,18,20H,3,9-10,12,26H2,1-2H3/t18-,20?/m0/s1