(3R,4S)-6-azanyl-2-azanylidene-4-(3-methoxy-4-oxidanyl-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile

Systemtic Name: (3R,4S)-6-azanyl-2-azanylidene-4-(3-methoxy-4-oxidanyl-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3R,4S)-6-amino-4-(4-hydroxy-3-methoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3R,4S)-6-amino-4-(4-hydroxy-3-methoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3R,4S)-6-amino-4-(4-hydroxy-3-methoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3R,4S)-6-amino-4-(4-hydroxy-3-methoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=N)SC(=C2C#N)N)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N)O

InChI

InChI=1S/C14H12N4O2S/c1-20-11-4-7(2-3-10(11)19)12-8(5-15)13(17)21-14(18)9(12)6-16/h2-4,8,12,17,19H,18H2,1H3/t8-,12+/m0/s1