2-[(E)-but-2-enyl]sulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[(E)-but-2-enyl]sulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[(E)-but-2-enyl]sulfanyl-6-(m-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[[(E)-but-2-enyl]thio]-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(E)-but-2-enyl]sulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[[(E)-but-2-enyl]thio]-6-(3-methylbenzyl)-1H-pyrimidin-4-one Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=NC(=O)C=C(N1)CC2=CC=CC(=C2)C

Isomeric SMILES

C/C=C/CSC1=NC(=O)C=C(N1)CC2=CC=CC(=C2)C

InChI

InChI=1S/C16H18N2OS/c1-3-4-8-20-16-17-14(11-15(19)18-16)10-13-7-5-6-12(2)9-13/h3-7,9,11H,8,10H2,1-2H3,(H,17,18,19)/b4-3+