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

Systemtic Name: (4R,5S)-4-(4-methoxyphenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile Openeye Name: (4R,5S)-4-(4-methoxyphenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile CAS Name: (4R,5S)-4-(4-methoxyphenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile IUPAC Name: (4R,5S)-4-(4-methoxyphenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile Traditional Name: (5S,6R)-4-keto-6-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-5-carbonitrile Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)NC(=S)N2)C#N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC(=S)N2)C#N

InChI

InChI=1S/C12H11N3O2S/c1-17-8-4-2-7(3-5-8)10-9(6-13)11(16)15-12(18)14-10/h2-5,9-10H,1H3,(H2,14,15,16,18)/t9-,10+/m1/s1