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

Systemtic Name: 6-azanyl-8-(4-ethoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(4-ethoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(4-ethoxyphenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(4-ethoxyphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-p-phenetyl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3CSCC=C3C(=C(C2(C#N)C#N)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3CSCC=C3C(=C(C2(C#N)C#N)N)C#N

InChI

InChI=1S/C20H18N4OS/c1-2-25-14-5-3-13(4-6-14)18-17-10-26-8-7-15(17)16(9-21)19(24)20(18,11-22)12-23/h3-7,17-18H,2,8,10,24H2,1H3