[(5R,6R)-4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenyl-methanone

Systemtic Name: [(5R,6R)-4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenyl-methanone Openeye Name: [(5R,6R)-4-methylene-6-(3-nitrophenyl)-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone CAS Name: [(5R,6R)-4-methylene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone IUPAC Name: [(5R,6R)-4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinan-5-yl]-phenylmethanone Traditional Name: [(5R,6R)-4-methylene-6-(3-nitrophenyl)-2-thioxo-hexahydropyrimidin-5-yl]-phenyl-methanone Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C=C1[C@@H]([C@@H](NC(=S)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3S/c1-11-15(17(22)12-6-3-2-4-7-12)16(20-18(25)19-11)13-8-5-9-14(10-13)21(23)24/h2-10,15-16H,1H2,(H2,19,20,25)/t15-,16-/m0/s1