methyl 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: methyl 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCCC(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCCC(=O)OC

InChI

InChI=1S/C13H21N3O2S/c1-10-14-15-13(19-9-8-12(17)18-2)16(10)11-6-4-3-5-7-11/h11H,3-9H2,1-2H3