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

Systemtic Name: 4-azanyl-2-[2-(4-iodophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(4-iodophenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(4-iodophenyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(4-iodophenyl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(4-iodophenyl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C13H9IN4OS MolecularWeight: 396.20623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC=C(C(=N2)N)C#N)I

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC=C(C(=N2)N)C#N)I

InChI

InChI=1S/C13H9IN4OS/c14-10-3-1-8(2-4-10)11(19)7-20-13-17-6-9(5-15)12(16)18-13/h1-4,6H,7H2,(H2,16,17,18)