3-azanyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-sulfanylidene-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-homoveratryl-1-thioxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=C(C3=C(C2=S)CCCC3)C#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=C(C3=C(C2=S)CCCC3)C#N)N)OC

InChI

InChI=1S/C20H23N3O2S/c1-24-17-8-7-13(11-18(17)25-2)9-10-23-19(22)16(12-21)14-5-3-4-6-15(14)20(23)26/h7-8,11H,3-6,9-10,22H2,1-2H3