(8S)-6-azanyl-8-(3-methylthiophen-2-yl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8S)-6-azanyl-8-(3-methylthiophen-2-yl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S)-6-amino-2-isopropyl-8-(3-methyl-2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8S)-6-amino-8-(3-methyl-2-thiophenyl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S)-6-amino-8-(3-methylthiophen-2-yl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S)-6-amino-2-isopropyl-8-(3-methyl-2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C20H21N5S MolecularWeight: 363.47924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)C

Isomeric SMILES

CC1=C(SC=C1)[C@H]2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(C)C

InChI

InChI=1S/C20H21N5S/c1-12(2)25-6-4-14-15(8-21)19(24)20(10-22,11-23)17(16(14)9-25)18-13(3)5-7-26-18/h4-5,7,12,16-17H,6,9,24H2,1-3H3/t16?,17-/m1/s1