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

Systemtic Name: 5-methyl-1-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enyl]-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 5-methyl-1-[(E)-3-(5-nitro-2-thienyl)allyl]-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 5-methyl-1-[(E)-3-(5-nitro-2-thiophenyl)prop-2-enyl]-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 5-methyl-1-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enyl]-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 5-methyl-1-[(E)-3-(5-nitro-2-thienyl)allyl]-6-(phenylthio)pyrimidine-2,4-quinone Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)NC1=O)CC=CC2=CC=C(S2)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

CC1=C(N(C(=O)NC1=O)C/C=C/C2=CC=C(S2)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O4S2/c1-12-16(22)19-18(23)20(17(12)27-13-6-3-2-4-7-13)11-5-8-14-9-10-15(26-14)21(24)25/h2-10H,11H2,1H3,(H,19,22,23)/b8-5+