(E)-4-(3-methyl-2-sulfanyl-1H-imidazol-2-yl)but-3-en-2-one

Systemtic Name: (E)-4-(3-methyl-2-sulfanyl-1H-imidazol-2-yl)but-3-en-2-one Openeye Name: (E)-4-(3-methyl-2-sulfanyl-1H-imidazol-2-yl)but-3-en-2-one CAS Name: (E)-4-(2-mercapto-3-methyl-1H-imidazol-2-yl)-3-buten-2-one IUPAC Name: (E)-4-(3-methyl-2-sulfanyl-1H-imidazol-2-yl)but-3-en-2-one Traditional Name: (E)-4-(2-mercapto-1-methyl-4-imidazolin-2-yl)but-3-en-2-one Formula: C8H12N2OS MolecularWeight: 184.25868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1(NC=CN1C)S

Isomeric SMILES

CC(=O)/C=C/C1(NC=CN1C)S

InChI

InChI=1S/C8H12N2OS/c1-7(11)3-4-8(12)9-5-6-10(8)2/h3-6,9,12H,1-2H3/b4-3+