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

Systemtic Name: (8S,8aS)-6-azanyl-8-(5-bromanylthiophen-2-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aS)-6-amino-8-(5-bromo-2-thienyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aS)-6-amino-8-(5-bromo-2-thiophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aS)-6-amino-8-(5-bromothiophen-2-yl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aS)-6-amino-8-(5-bromo-2-thienyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C17H14BrN5S MolecularWeight: 400.29556

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(S3)Br

Isomeric SMILES

CN1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(S3)Br

InChI

InChI=1S/C17H14BrN5S/c1-23-5-4-10-11(6-19)16(22)17(8-20,9-21)15(12(10)7-23)13-2-3-14(18)24-13/h2-4,12,15H,5,7,22H2,1H3/t12-,15-/m1/s1