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

Systemtic Name: 6-azanyl-8-(3-chlorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(3-chlorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(3-chlorophenyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(3-chlorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(3-chlorophenyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Formula: C18H13ClN4S MolecularWeight: 352.84062

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CS1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1C=C2C(CS1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H13ClN4S/c19-12-3-1-2-11(6-12)16-15-8-24-5-4-13(15)14(7-20)17(23)18(16,9-21)10-22/h1-4,6,15-16H,5,8,23H2