5-ethyl-1-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enyl]-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 5-ethyl-1-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enyl]-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 5-ethyl-1-[(E)-3-(5-nitro-2-thienyl)allyl]-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 5-ethyl-1-[(E)-3-(5-nitro-2-thiophenyl)prop-2-enyl]-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 5-ethyl-1-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 5-ethyl-1-[(E)-3-(5-nitro-2-thienyl)allyl]-6-(phenylthio)pyrimidine-2,4-quinone Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CC=CC2=CC=C(S2)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)C/C=C/C2=CC=C(S2)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O4S2/c1-2-15-17(23)20-19(24)21(18(15)28-13-7-4-3-5-8-13)12-6-9-14-10-11-16(27-14)22(25)26/h3-11H,2,12H2,1H3,(H,20,23,24)/b9-6+