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

Systemtic Name: N-(4-butylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-butylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-butylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3OC

InChI

InChI=1S/C21H24N4O2S/c1-3-4-7-16-10-12-17(13-11-16)23-20(26)14-28-21-24-22-15-25(21)18-8-5-6-9-19(18)27-2/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,23,26)