2,4-bis(oxidanylidene)-6-phenyl-3-(2-sulfanylethyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2,4-bis(oxidanylidene)-6-phenyl-3-(2-sulfanylethyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2,4-dioxo-6-phenyl-3-(2-sulfanylethyl)-1H-pyrimidine-5-carbonitrile CAS Name: 3-(2-mercaptoethyl)-2,4-dioxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2,4-dioxo-6-phenyl-3-(2-sulfanylethyl)-1H-pyrimidine-5-carbonitrile Traditional Name: 2,4-diketo-3-(2-mercaptoethyl)-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(C(=O)N2)CCS)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(C(=O)N2)CCS)C#N

InChI

InChI=1S/C13H11N3O2S/c14-8-10-11(9-4-2-1-3-5-9)15-13(18)16(6-7-19)12(10)17/h1-5,19H,6-7H2,(H,15,18)