4-azanyl-2-[2-[4-(4-bromophenyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[4-(4-bromophenyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-[4-(4-bromophenyl)phenyl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-[4-(4-bromophenyl)phenyl]-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C19H13BrN4OS MolecularWeight: 425.30172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C19H13BrN4OS/c20-16-7-5-13(6-8-16)12-1-3-14(4-2-12)17(25)11-26-19-23-10-15(9-21)18(22)24-19/h1-8,10H,11H2,(H2,22,23,24)