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

Systemtic Name: 4-[[4-(chloromethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(chloromethyl)-2-thioxo-1H-imidazol-3-yl]methyl]benzonitrile CAS Name: 4-[[4-(chloromethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(chloromethyl)-2-sulfanylidene-1H-imidazol-3-yl]methyl]benzonitrile Traditional Name: 4-[[5-(chloromethyl)-2-thioxo-4-imidazolin-1-yl]methyl]benzonitrile Formula: C12H10ClN3S MolecularWeight: 263.7459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3S/c13-5-11-7-15-12(17)16(11)8-10-3-1-9(6-14)2-4-10/h1-4,7H,5,8H2,(H,15,17)