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

Systemtic Name: (3R,4S)-6-azanyl-2-azanylidene-4-(3-butoxy-4-methoxy-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3R,4S)-6-amino-4-(3-butoxy-4-methoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3R,4S)-6-amino-4-(3-butoxy-4-methoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3R,4S)-6-amino-4-(3-butoxy-4-methoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3R,4S)-6-amino-4-(3-butoxy-4-methoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C2C(C(=N)SC(=C2C#N)N)C#N)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)[C@@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N)OC

InChI

InChI=1S/C18H20N4O2S/c1-3-4-7-24-15-8-11(5-6-14(15)23-2)16-12(9-19)17(21)25-18(22)13(16)10-20/h5-6,8,12,16,21H,3-4,7,22H2,1-2H3/t12-,16+/m0/s1