(E)-2-morpholin-4-ylcarbonyl-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-morpholin-4-ylcarbonyl-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(morpholine-4-carbonyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-[4-morpholinyl(oxo)methyl]-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(morpholine-4-carbonyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(morpholine-4-carbonyl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylonitrile Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C#N

Isomeric SMILES

C1COCCN1C(=O)/C(=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H15N5O4S/c19-12-14(17(24)22-6-8-27-9-7-22)10-13-2-3-16(15(11-13)23(25)26)28-18-20-4-1-5-21-18/h1-5,10-11H,6-9H2/b14-10+