3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: 3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile CAS Name: 3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-[oxo(1-pyrrolidinyl)methyl]-2-propenenitrile IUPAC Name: 3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-[3-nitro-4-(2-pyrimidylthio)phenyl]-2-(pyrrolidine-1-carbonyl)acrylonitrile Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCN(C1)C(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H15N5O3S/c19-12-14(17(24)22-8-1-2-9-22)10-13-4-5-16(15(11-13)23(25)26)27-18-20-6-3-7-21-18/h3-7,10-11H,1-2,8-9H2