2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetamide Formula: C16H15N5OS2 MolecularWeight: 357.4532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C16H15N5OS2/c1-2-7-23-13-6-4-3-5-12(13)20-14(22)10-24-16-19-9-11(8-17)15(18)21-16/h2-6,9H,1,7,10H2,(H,20,22)(H2,18,19,21)