6-azanyl-8-(2,3-dimethoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(2,3-dimethoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(2,3-dimethoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2,3-dimethoxyphenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(2,3-dimethoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(2,3-dimethoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C3CSCC=C3C(=C(C2(C#N)C#N)N)C#N

Isomeric SMILES

COC1=CC=CC(=C1OC)C2C3CSCC=C3C(=C(C2(C#N)C#N)N)C#N

InChI

InChI=1S/C20H18N4O2S/c1-25-16-5-3-4-13(18(16)26-2)17-15-9-27-7-6-12(15)14(8-21)19(24)20(17,10-22)11-23/h3-6,15,17H,7,9,24H2,1-2H3