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

Systemtic Name: methyl 3-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[4-methyl-5-(m-tolyl)-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=CC=CC(=C1)C2=NN=C(N2C)SCC3=C(OC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=C(OC=C3)C(=O)OC

InChI

InChI=1S/C17H17N3O3S/c1-11-5-4-6-12(9-11)15-18-19-17(20(15)2)24-10-13-7-8-23-14(13)16(21)22-3/h4-9H,10H2,1-3H3