4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(hydroxymethyl)-2-thioxo-1H-imidazol-3-yl]methyl]benzonitrile CAS Name: 4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(hydroxymethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]benzonitrile Traditional Name: 4-[(5-methylol-2-thioxo-4-imidazolin-1-yl)methyl]benzonitrile Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=CNC2=S)CO)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C(=CNC2=S)CO)C#N

InChI

InChI=1S/C12H11N3OS/c13-5-9-1-3-10(4-2-9)7-15-11(8-16)6-14-12(15)17/h1-4,6,16H,7-8H2,(H,14,17)