ethyl 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NN=CN2C(C)C

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NN=CN2C(C)C

InChI

InChI=1S/C13H17N3O3S/c1-4-18-12(17)10-5-6-19-11(10)7-20-13-15-14-8-16(13)9(2)3/h5-6,8-9H,4,7H2,1-3H3