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

Systemtic Name: (3R,4S)-6-azanyl-2-azanylidene-4-(3-methoxy-4-phenylmethoxy-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3R,4S)-6-amino-4-(4-benzyloxy-3-methoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3R,4S)-6-amino-2-imino-4-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3R,4S)-6-amino-2-imino-4-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3R,4S)-6-amino-4-(4-benzoxy-3-methoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=N)SC(=C2C#N)N)C#N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O2S/c1-26-18-9-14(7-8-17(18)27-12-13-5-3-2-4-6-13)19-15(10-22)20(24)28-21(25)16(19)11-23/h2-9,15,19,24H,12,25H2,1H3/t15-,19+/m0/s1