6-azanyl-2-propyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol

Systemtic Name: 6-azanyl-2-propyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Openeye Name: 6-amino-2-propyl-8-(3-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol CAS Name: 6-amino-2-propyl-8-(3-thiophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol IUPAC Name: 6-amino-2-propyl-8-thiophen-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Traditional Name: 6-amino-2-propyl-8-(3-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:

CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3.CCO

Isomeric SMILES

CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CSC=C3.CCO

InChI

InChI=1S/C19H19N5S.C2H6O/c1-2-5-24-6-3-14-15(8-20)18(23)19(11-21,12-22)17(16(14)9-24)13-4-7-25-10-13;1-2-3/h3-4,7,10,16-17H,2,5-6,9,23H2,1H3;3H,2H2,1H3