(4R,5S)-4-(1,3-benzodioxol-5-yl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile

Systemtic Name: (4R,5S)-4-(1,3-benzodioxol-5-yl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile Openeye Name: (4R,5S)-4-(1,3-benzodioxol-5-yl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile CAS Name: (4R,5S)-4-(1,3-benzodioxol-5-yl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile IUPAC Name: (4R,5S)-4-(1,3-benzodioxol-5-yl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile Traditional Name: (4R,5S)-4-(1,3-benzodioxol-5-yl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(=O)NC(=S)N3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@H]3[C@H](C(=O)NC(=S)N3)C#N

InChI

InChI=1S/C12H9N3O3S/c13-4-7-10(14-12(19)15-11(7)16)6-1-2-8-9(3-6)18-5-17-8/h1-3,7,10H,5H2,(H2,14,15,16,19)/t7-,10+/m1/s1