6-azanyl-3,5-dicyano-2,4-bis(3-methoxyphenyl)-2,4-dihydrothiopyran-3-carbothioamide

Systemtic Name: 6-azanyl-3,5-dicyano-2,4-bis(3-methoxyphenyl)-2,4-dihydrothiopyran-3-carbothioamide Openeye Name: 6-amino-3,5-dicyano-2,4-bis(3-methoxyphenyl)-2,4-dihydrothiopyran-3-carbothioamide CAS Name: 6-amino-3,5-dicyano-2,4-bis(3-methoxyphenyl)-2,4-dihydrothiopyran-3-carbothioamide IUPAC Name: 6-amino-3,5-dicyano-2,4-bis(3-methoxyphenyl)-2,4-dihydrothiopyran-3-carbothioamide Traditional Name: 6-amino-3,5-dicyano-2,4-bis(3-methoxyphenyl)-2,4-dihydrothiopyran-3-carbothioamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(SC(C2(C#N)C(=S)N)C3=CC(=CC=C3)OC)N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2C(=C(SC(C2(C#N)C(=S)N)C3=CC(=CC=C3)OC)N)C#N

InChI

InChI=1S/C22H20N4O2S2/c1-27-15-7-3-5-13(9-15)18-17(11-23)20(25)30-19(22(18,12-24)21(26)29)14-6-4-8-16(10-14)28-2/h3-10,18-19H,25H2,1-2H3,(H2,26,29)