(3R,4S)-6-azanyl-2-azanylidene-4-(3-phenylmethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile

Systemtic Name: (3R,4S)-6-azanyl-2-azanylidene-4-(3-phenylmethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3R,4S)-6-amino-4-(3-benzyloxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3R,4S)-6-amino-2-imino-4-(3-phenylmethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3R,4S)-6-amino-2-imino-4-(3-phenylmethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3R,4S)-6-amino-4-(3-benzoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C20H16N4OS MolecularWeight: 360.43224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3C(C(=N)SC(=C3C#N)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)[C@@H]3[C@@H](C(=N)SC(=C3C#N)N)C#N

InChI

InChI=1S/C20H16N4OS/c21-10-16-18(17(11-22)20(24)26-19(16)23)14-7-4-8-15(9-14)25-12-13-5-2-1-3-6-13/h1-9,16,18,23H,12,24H2/t16-,18+/m0/s1