(8S,8aS)-6-azanyl-2-ethyl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: (8S,8aS)-6-azanyl-2-ethyl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aS)-6-amino-2-ethyl-8-(2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aS)-6-amino-2-ethyl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aS)-6-amino-2-ethyl-8-thiophen-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aS)-6-amino-2-ethyl-8-(2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C18H17N5S MolecularWeight: 335.42608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3

Isomeric SMILES

CCN1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3

InChI

InChI=1S/C18H17N5S/c1-2-23-6-5-12-13(8-19)17(22)18(10-20,11-21)16(14(12)9-23)15-4-3-7-24-15/h3-5,7,14,16H,2,6,9,22H2,1H3/t14-,16-/m1/s1