methyl 4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]benzoate Openeye Name: methyl 4-[(E)-(5-phenyl-2-thioxo-1H-imidazol-3-yl)iminomethyl]benzoate CAS Name: 4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-(4-phenyl-2-thioxo-4-imidazolin-1-yl)iminomethyl]benzoic acid methyl ester Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2C=C(NC2=S)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S/c1-23-17(22)15-9-7-13(8-10-15)11-19-21-12-16(20-18(21)24)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,24)/b19-11+