6-azanyl-2-ethyl-8-(5-methylthiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol

Systemtic Name: 6-azanyl-2-ethyl-8-(5-methylthiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Openeye Name: 6-amino-2-ethyl-8-(5-methyl-2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol CAS Name: 6-amino-2-ethyl-8-(5-methyl-2-thiophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol IUPAC Name: 6-amino-2-ethyl-8-(5-methylthiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Traditional Name: 6-amino-2-ethyl-8-(5-methyl-2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Formula: C21H25N5OS MolecularWeight: 395.5211

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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=C(S3)C.CCO

Isomeric SMILES

CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(S3)C.CCO

InChI

InChI=1S/C19H19N5S.C2H6O/c1-3-24-7-6-13-14(8-20)18(23)19(10-21,11-22)17(15(13)9-24)16-5-4-12(2)25-16;1-2-3/h4-6,15,17H,3,7,9,23H2,1-2H3;3H,2H2,1H3