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

Systemtic Name: methyl 2-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C11H11ClN4O2S MolecularWeight: 298.74864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Cl

Isomeric SMILES

COC(=O)CSC1=NN=C(N1N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C11H11ClN4O2S/c1-18-9(17)6-19-11-15-14-10(16(11)13)7-3-2-4-8(12)5-7/h2-5H,6,13H2,1H3