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

Systemtic Name: 1-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetone Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-11(20)10-22-16-18-17-15(14-8-9-21-12(14)2)19(16)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3