6-azanyl-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(4-isopropylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(4-propan-2-ylphenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-p-cumenyl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4S/c1-13(2)14-3-5-15(6-4-14)19-18-10-26-8-7-16(18)17(9-22)20(25)21(19,11-23)12-24/h3-7,13,18-19H,8,10,25H2,1-2H3