3-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C16H13ClN6O2S MolecularWeight: 388.83142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN6O2S/c17-12-3-5-13(6-4-12)26-16-14(23(24)25)15(20-11-21-16)22(9-1-7-18)10-2-8-19/h3-6,11H,1-2,9-10H2