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

Systemtic Name: 1-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N3O2S/c1-4-14-5-7-15(8-6-14)18(24)13(2)26-20-21-19(22-23-20)16-9-11-17(25-3)12-10-16/h5-13H,4H2,1-3H3,(H,21,22,23)