6-azanyl-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,5,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,5,7-tricarbonitrile Openeye Name: 6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,5,7-tricarbonitrile CAS Name: 6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,5,7-tricarbonitrile IUPAC Name: 6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,5,7-tricarbonitrile Traditional Name: 6-amino-8-(4-methoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,5,7-tricarbonitrile Formula: C19H16N4OS MolecularWeight: 348.42154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3CSCC=C3C(C(=C2C#N)N)(C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2C3CSCC=C3C(C(=C2C#N)N)(C#N)C#N

InChI

InChI=1S/C19H16N4OS/c1-24-13-4-2-12(3-5-13)17-14(8-20)18(23)19(10-21,11-22)16-6-7-25-9-15(16)17/h2-6,15,17H,7,9,23H2,1H3