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4-oxidanylidene-6-phenethyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

4-oxidanylidene-6-phenethyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name:4-oxidanylidene-6-phenethyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Openeye Name:4-oxo-6-phenethyl-2-thioxo-1H-pyrimidine-5-carbonitrile
CAS Name:4-oxo-6-phenethyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
IUPAC Name:4-oxo-6-phenethyl-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Traditional Name:4-keto-6-phenethyl-2-thioxo-1H-pyrimidine-5-carbonitrile
Formula: C13H11N3OS
MolecularWeight: 257.31094
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=O)NC(=S)N2)C#N


Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=O)NC(=S)N2)C#N


InChI

InChI=1S/C13H11N3OS/c14-8-10-11(15-13(18)16-12(10)17)7-6-9-4-2-1-3-5-9/h1-5H,6-7H2,(H2,15,16,17,18)


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