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

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(2-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone Traditional Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(2-methoxyphenyl)ethanone Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C19H19N3O2S/c1-3-13-8-10-14(11-9-13)18-20-19(22-21-18)25-12-16(23)15-6-4-5-7-17(15)24-2/h4-11H,3,12H2,1-2H3,(H,20,21,22)