(3R,4S)-6-azanyl-2-azanylidene-4-(1,3-benzodioxol-5-yl)-3,4-dihydrothiopyran-3,5-dicarbonitrile

Systemtic Name: (3R,4S)-6-azanyl-2-azanylidene-4-(1,3-benzodioxol-5-yl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3R,4S)-6-amino-4-(1,3-benzodioxol-5-yl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3R,4S)-6-amino-4-(1,3-benzodioxol-5-yl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3R,4S)-6-amino-4-(1,3-benzodioxol-5-yl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3R,4S)-6-amino-4-(1,3-benzodioxol-5-yl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(=N)SC(=C3C#N)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H]3[C@@H](C(=N)SC(=C3C#N)N)C#N

InChI

InChI=1S/C14H10N4O2S/c15-4-8-12(9(5-16)14(18)21-13(8)17)7-1-2-10-11(3-7)20-6-19-10/h1-3,8,12,17H,6,18H2/t8-,12+/m0/s1