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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(N2C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2C)C3=CC=CC=C3)C(=O)OC

InChI

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