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

Systemtic Name: methyl 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(N2C3CC3)C4CC4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2C3CC3)C4CC4)C(=O)OC

InChI

InChI=1S/C16H19N3O3S/c1-9-13(15(20)21-2)7-12(22-9)8-23-16-18-17-14(10-3-4-10)19(16)11-5-6-11/h7,10-11H,3-6,8H2,1-2H3