(4S)-4-[5-bromanyl-2-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-4-[5-bromanyl-2-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-[5-bromo-2-(cyanomethoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-[5-bromo-2-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-[5-bromo-2-(cyanomethoxy)phenyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-[5-bromo-2-(cyanomethoxy)phenyl]-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C19H15BrN4O2S MolecularWeight: 443.317

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(NC(=S)N2)C3=C(C=CC(=C3)Br)OCC#N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C([C@@H](NC(=S)N2)C3=C(C=CC(=C3)Br)OCC#N)C(=O)N

InChI

InChI=1S/C19H15BrN4O2S/c20-12-6-7-14(26-9-8-21)13(10-12)17-15(18(22)25)16(23-19(27)24-17)11-4-2-1-3-5-11/h1-7,10,17H,9H2,(H2,22,25)(H2,23,24,27)/t17-/m0/s1