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

Systemtic Name: 4-azanyl-2-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(4-ethylphenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(4-ethylphenyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(4-ethylphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(4-ethylphenyl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C15H14N4OS MolecularWeight: 298.36286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C15H14N4OS/c1-2-10-3-5-11(6-4-10)13(20)9-21-15-18-8-12(7-16)14(17)19-15/h3-6,8H,2,9H2,1H3,(H2,17,18,19)