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

Systemtic Name: 1-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetone Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17N3O2S/c1-13(22)12-24-18-20-19-17(14-8-10-16(23-2)11-9-14)21(18)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3