methyl 4-(3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)benzoate

Systemtic Name: methyl 4-(3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)benzoate Openeye Name: methyl 4-(3-phenyl-2-thioxo-1H-imidazol-5-yl)benzoate CAS Name: 4-(3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)benzoate Traditional Name: 4-(1-phenyl-2-thioxo-4-imidazolin-4-yl)benzoic acid methyl ester Formula: C17H14N2O2S MolecularWeight: 310.37026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CN(C(=S)N2)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O2S/c1-21-16(20)13-9-7-12(8-10-13)15-11-19(17(22)18-15)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,22)