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

Systemtic Name: methyl 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OC

InChI

InChI=1S/C12H13N3O2S/c1-9-13-14-12(18-8-11(16)17-2)15(9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3