2-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C14H9ClN6O2S MolecularWeight: 360.77826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])N(CC#N)CC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=NC=NC(=C2[N+](=O)[O-])N(CC#N)CC#N)Cl

InChI

InChI=1S/C14H9ClN6O2S/c15-10-1-3-11(4-2-10)24-14-12(21(22)23)13(18-9-19-14)20(7-5-16)8-6-17/h1-4,9H,7-8H2