1-(4-butan-2-ylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-butan-2-ylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-sec-butylphenyl)ethanone CAS Name: 1-(4-butan-2-ylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-butan-2-ylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-sec-butylphenyl)ethanone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3OC

InChI

InChI=1S/C21H23N3O2S/c1-4-15(2)16-9-11-17(12-10-16)19(25)13-27-21-23-22-14-24(21)18-7-5-6-8-20(18)26-3/h5-12,14-15H,4,13H2,1-3H3