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

Systemtic Name: (3R,4S)-6-azanyl-2-azanylidene-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3R,4S)-6-amino-2-imino-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3R,4S)-6-amino-2-imino-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3R,4S)-6-amino-2-imino-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3R,4S)-6-amino-2-imino-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(C(=N)SC(=C2C#N)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N

InChI

InChI=1S/C16H16N4O3S/c1-21-11-4-8(5-12(22-2)14(11)23-3)13-9(6-17)15(19)24-16(20)10(13)7-18/h4-5,9,13,19H,20H2,1-3H3/t9-,13+/m0/s1