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

Systemtic Name: 6-azanyl-2-methyl-8-(5-methylthiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Openeye Name: 6-amino-2-methyl-8-(5-methyl-2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol CAS Name: 6-amino-2-methyl-8-(5-methyl-2-thiophenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol IUPAC Name: 6-amino-2-methyl-8-(5-methylthiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Traditional Name: 6-amino-2-methyl-8-(5-methyl-2-thienyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC1=CC=C(S1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C

Isomeric SMILES

CCO.CC1=CC=C(S1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C

InChI

InChI=1S/C18H17N5S.C2H6O/c1-11-3-4-15(24-11)16-14-8-23(2)6-5-12(14)13(7-19)17(22)18(16,9-20)10-21;1-2-3/h3-5,14,16H,6,8,22H2,1-2H3;3H,2H2,1H3