(2R,3S,4R,5S)-6-azanylidene-3,5-dicyano-2,4-bis(4-methylphenyl)thiane-3-carbothioamide

Systemtic Name: (2R,3S,4R,5S)-6-azanylidene-3,5-dicyano-2,4-bis(4-methylphenyl)thiane-3-carbothioamide Openeye Name: (2R,3S,4R,5S)-3,5-dicyano-6-imino-2,4-bis(p-tolyl)tetrahydrothiopyran-3-carbothioamide CAS Name: (2R,3S,4R,5S)-3,5-dicyano-6-imino-2,4-bis(4-methylphenyl)-3-thianecarbothioamide IUPAC Name: (2R,3S,4R,5S)-3,5-dicyano-6-imino-2,4-bis(4-methylphenyl)thiane-3-carbothioamide Traditional Name: (2R,3S,4R,5S)-3,5-dicyano-6-imino-2,4-bis(p-tolyl)tetrahydrothiopyran-3-carbothioamide Formula: C22H20N4S2 MolecularWeight: 404.551

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=N)SC(C2(C#N)C(=S)N)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2[C@H](C(=N)S[C@@H]([C@]2(C#N)C(=S)N)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C22H20N4S2/c1-13-3-7-15(8-4-13)18-17(11-23)20(25)28-19(22(18,12-24)21(26)27)16-9-5-14(2)6-10-16/h3-10,17-19,25H,1-2H3,(H2,26,27)/t17-,18+,19-,22-/m1/s1