methyl 2-[(2-azanyl-5-chloranyl-phenyl)-(1-methylimidazol-2-yl)methyl]sulfanylethanoate

Systemtic Name: methyl 2-[(2-azanyl-5-chloranyl-phenyl)-(1-methylimidazol-2-yl)methyl]sulfanylethanoate Openeye Name: methyl 2-[(2-amino-5-chloro-phenyl)-(1-methylimidazol-2-yl)methyl]sulfanylacetate CAS Name: 2-[[(2-amino-5-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-5-chlorophenyl)-(1-methylimidazol-2-yl)methyl]sulfanylacetate Traditional Name: 2-[[(2-amino-5-chloro-phenyl)-(1-methylimidazol-2-yl)methyl]thio]acetic acid methyl ester Formula: C14H16ClN3O2S MolecularWeight: 325.81374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=C(C=CC(=C2)Cl)N)SCC(=O)OC

Isomeric SMILES

CN1C=CN=C1C(C2=C(C=CC(=C2)Cl)N)SCC(=O)OC

InChI

InChI=1S/C14H16ClN3O2S/c1-18-6-5-17-14(18)13(21-8-12(19)20-2)10-7-9(15)3-4-11(10)16/h3-7,13H,8,16H2,1-2H3