methyl 4-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-amino-4-phenyl-imidazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-amino-4-phenyl-2-imidazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-amino-4-phenylimidazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-amino-4-phenyl-imidazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-23-17(22)15-9-7-13(8-10-15)12-24-18-20-16(11-21(18)19)14-5-3-2-4-6-14/h2-11H,12,19H2,1H3