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

Systemtic Name: methyl 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=C(OC=C3)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=C(OC=C3)C(=O)OC

InChI

InChI=1S/C16H15N3O3S/c1-11-17-18-16(19(11)13-6-4-3-5-7-13)23-10-12-8-9-22-14(12)15(20)21-2/h3-9H,10H2,1-2H3