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

Systemtic Name: (8S,8aS)-6-azanyl-2-methyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: (8S,8aS)-6-amino-2-methyl-8-(5-nitro-2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: (8S,8aS)-6-amino-2-methyl-8-(5-nitro-2-thiophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: (8S,8aS)-6-amino-2-methyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: (8S,8aS)-6-amino-2-methyl-8-(5-nitro-2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C17H14N6O2S MolecularWeight: 366.39706

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6O2S/c1-22-5-4-10-11(6-18)16(21)17(8-19,9-20)15(12(10)7-22)13-2-3-14(26-13)23(24)25/h2-4,12,15H,5,7,21H2,1H3/t12-,15-/m1/s1