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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=CN2C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=CN2C3=CC=CC=C3)C(=O)OC

InChI

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