5-methylsulfanyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 5-methylsulfanyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 5-methylsulfanyl-2-[(E)-2-(4-nitrophenyl)vinyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 5-(methylthio)-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 5-methylsulfanyl-2-[(E)-2-(4-nitrophenyl)ethenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 5-(methylthio)-2-[(E)-2-(4-nitrophenyl)vinyl]-1,4,5,6-tetrahydropyrimidine Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CNC(=NC1)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1CNC(=NC1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O2S/c1-19-12-8-14-13(15-9-12)7-4-10-2-5-11(6-3-10)16(17)18/h2-7,12H,8-9H2,1H3,(H,14,15)/b7-4+