methyl 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoate Openeye Name: methyl 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetic acid methyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=CN1N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CSC1=NC(=CN1N)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2S/c1-17-11(16)8-18-12-14-10(7-15(12)13)9-5-3-2-4-6-9/h2-7H,8,13H2,1H3