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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=CC=C3

InChI

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