1-(cyanomethyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 1-(cyanomethyl)-4-oxidanylidene-3-phenyl-2-sulfanylidene-pyrimidine-5-carbonitrile Openeye Name: 1-(cyanomethyl)-4-oxo-3-phenyl-2-thioxo-pyrimidine-5-carbonitrile CAS Name: 1-(cyanomethyl)-4-oxo-3-phenyl-2-sulfanylidene-5-pyrimidinecarbonitrile IUPAC Name: 1-(cyanomethyl)-4-oxo-3-phenyl-2-sulfanylidenepyrimidine-5-carbonitrile Traditional Name: 1-(cyanomethyl)-4-keto-3-phenyl-2-thioxo-pyrimidine-5-carbonitrile Formula: C13H8N4OS MolecularWeight: 268.29382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CN(C2=S)CC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CN(C2=S)CC#N)C#N

InChI

InChI=1S/C13H8N4OS/c14-6-7-16-9-10(8-15)12(18)17(13(16)19)11-4-2-1-3-5-11/h1-5,9H,7H2