5-ethyl-1-(3-nitroprop-2-enyl)-6-phenylsulfanyl-pyrimidine-2,4-dione; thiophene

Systemtic Name: 5-ethyl-1-(3-nitroprop-2-enyl)-6-phenylsulfanyl-pyrimidine-2,4-dione; thiophene Openeye Name: 5-ethyl-1-(3-nitroallyl)-6-phenylsulfanyl-pyrimidine-2,4-dione; thiophene CAS Name: 5-ethyl-1-(3-nitroprop-2-enyl)-6-(phenylthio)pyrimidine-2,4-dione; thiophene IUPAC Name: 5-ethyl-1-(3-nitroprop-2-enyl)-6-phenylsulfanylpyrimidine-2,4-dione; thiophene Traditional Name: 5-ethyl-1-(3-nitroallyl)-6-(phenylthio)pyrimidine-2,4-quinone; thiophene Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CC=C[N+](=O)[O-])SC2=CC=CC=C2.C1=CSC=C1

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)CC=C[N+](=O)[O-])SC2=CC=CC=C2.C1=CSC=C1

InChI

InChI=1S/C15H15N3O4S.C4H4S/c1-2-12-13(19)16-15(20)17(9-6-10-18(21)22)14(12)23-11-7-4-3-5-8-11;1-2-4-5-3-1/h3-8,10H,2,9H2,1H3,(H,16,19,20);1-4H