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

Systemtic Name: methyl 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C10H17N3O2S MolecularWeight: 243.32588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NN=CN1C(C)C

Isomeric SMILES

CCC(C(=O)OC)SC1=NN=CN1C(C)C

InChI

InChI=1S/C10H17N3O2S/c1-5-8(9(14)15-4)16-10-12-11-6-13(10)7(2)3/h6-8H,5H2,1-4H3