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

Systemtic Name: (4R,5S)-4-(3-bromophenyl)-6-oxidanylidene-2-sulfanylidene-1,3-diazinane-5-carbonitrile Openeye Name: (4R,5S)-4-(3-bromophenyl)-6-oxo-2-thioxo-hexahydropyrimidine-5-carbonitrile CAS Name: (4R,5S)-4-(3-bromophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile IUPAC Name: (4R,5S)-4-(3-bromophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile Traditional Name: (4R,5S)-4-(3-bromophenyl)-6-keto-2-thioxo-hexahydropyrimidine-5-carbonitrile Formula: C11H8BrN3OS MolecularWeight: 310.16972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8BrN3OS/c12-7-3-1-2-6(4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4,8-9H,(H2,14,15,16,17)/t8-,9+/m1/s1