6-azanyl-2-methyl-8-(4-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-2-methyl-8-(4-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-2-methyl-8-(4-nitro-2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-2-methyl-8-(4-nitro-2-thiophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-2-methyl-8-(4-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-methyl-8-(4-nitro-2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C17H14N6O2S MolecularWeight: 366.39706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CS3)[N+](=O)[O-]

Isomeric SMILES

CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CS3)[N+](=O)[O-]

InChI

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