methyl 2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: methyl 2-[3-azanyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]ethanoate Openeye Name: methyl 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-amino-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-amino-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-amino-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]acetic acid methyl ester Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NN=C1SCC2=CC=CC=C2Cl)N

Isomeric SMILES

COC(=O)CN1C(=NN=C1SCC2=CC=CC=C2Cl)N

InChI

InChI=1S/C12H13ClN4O2S/c1-19-10(18)6-17-11(14)15-16-12(17)20-7-8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3,(H2,14,15)