2-[4-[(3R,4S)-6-azanyl-2-azanylidene-3,5-dicyano-3,4-dihydrothiopyran-4-yl]phenoxy]ethanamide

Systemtic Name: 2-[4-[(3R,4S)-6-azanyl-2-azanylidene-3,5-dicyano-3,4-dihydrothiopyran-4-yl]phenoxy]ethanamide Openeye Name: 2-[4-[(3R,4S)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]phenoxy]acetamide CAS Name: 2-[4-[(3R,4S)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]phenoxy]acetamide IUPAC Name: 2-[4-[(3R,4S)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]phenoxy]acetamide Traditional Name: 2-[4-[(3R,4S)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]phenoxy]acetamide Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(C(=N)SC(=C2C#N)N)C#N)OCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O2S/c16-5-10-13(11(6-17)15(20)23-14(10)19)8-1-3-9(4-2-8)22-7-12(18)21/h1-4,10,13,19H,7,20H2,(H2,18,21)/t10-,13+/m0/s1