methyl 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC

InChI

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