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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=CN2C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NN=CN2C3=CC(=CC=C3)OC

InChI

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