[4-oxidanylidene-1-(phenylmethylsulfanyl)pyrimidin-5-yl] thiocyanate

Systemtic Name: [4-oxidanylidene-1-(phenylmethylsulfanyl)pyrimidin-5-yl] thiocyanate Openeye Name: (1-benzylsulfanyl-4-oxo-pyrimidin-5-yl) thiocyanate CAS Name: thiocyanic acid [4-oxo-1-(phenylmethylthio)-5-pyrimidinyl] ester IUPAC Name: (1-benzylsulfanyl-4-oxopyrimidin-5-yl) thiocyanate Traditional Name: thiocyanic acid [1-(benzylthio)-4-keto-pyrimidin-5-yl] ester Formula: C12H9N3OS2 MolecularWeight: 275.34936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSN2C=C(C(=O)N=C2)SC#N

Isomeric SMILES

C1=CC=C(C=C1)CSN2C=C(C(=O)N=C2)SC#N

InChI

InChI=1S/C12H9N3OS2/c13-8-17-11-6-15(9-14-12(11)16)18-7-10-4-2-1-3-5-10/h1-6,9H,7H2