methyl 5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C18H23N3O3S/c1-3-11-21-16(13-7-5-4-6-8-13)19-20-18(21)25-12-14-9-10-15(24-14)17(22)23-2/h3,9-10,13H,1,4-8,11-12H2,2H3