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

Systemtic Name: 1-[3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-1,2,4-triazol-4-yl]propan-2-one Openeye Name: 1-[3-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5-phenyl-1,2,4-triazol-4-yl]propan-2-one CAS Name: 1-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-5-phenyl-1,2,4-triazol-4-yl]-2-propanone IUPAC Name: 1-[3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5-phenyl-1,2,4-triazol-4-yl]propan-2-one Traditional Name: 1-[3-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-5-phenyl-1,2,4-triazol-4-yl]acetone Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S/c1-14(24)12-23-19(16-6-4-3-5-7-16)21-22-20(23)27-13-18(25)15-8-10-17(26-2)11-9-15/h3-11H,12-13H2,1-2H3