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

Systemtic Name: methyl 2-[[5-azanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[(5-amino-4-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-amino-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-amino-4-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-4-benzyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)N

InChI

InChI=1S/C12H14N4O2S/c1-18-10(17)8-19-12-15-14-11(13)16(12)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14)