2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-methyl-phenyl)ethanone

Systemtic Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-methyl-phenyl)ethanone Openeye Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-methyl-phenyl)ethanone CAS Name: 2-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-3-methylphenyl)ethanone IUPAC Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-methylphenyl)ethanone Traditional Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-3-methyl-phenyl)ethanone Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CSC2=NNC(=N2)C3=CC=CO3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CSC2=NNC(=N2)C3=CC=CO3)OC

InChI

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