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

Systemtic Name: methyl 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-isopropyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C(C)C)SCC(=O)OC

Isomeric SMILES

CC1=NN=C(N1C(C)C)SCC(=O)OC

InChI

InChI=1S/C9H15N3O2S/c1-6(2)12-7(3)10-11-9(12)15-5-8(13)14-4/h6H,5H2,1-4H3