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

Systemtic Name: methyl 3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C(OC=C3)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=C(OC=C3)C(=O)OC

InChI

InChI=1S/C17H17N3O3S/c1-12-18-19-17(20(12)10-13-6-4-3-5-7-13)24-11-14-8-9-23-15(14)16(21)22-2/h3-9H,10-11H2,1-2H3