N-(3-butoxyphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-butoxyphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-butoxyphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-butoxyphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-butoxyphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-butoxyphenyl)-2-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC

InChI

InChI=1S/C22H26N4O3S/c1-3-4-13-29-19-12-8-9-17(14-19)23-21(27)16-30-22-25-24-20(15-28-2)26(22)18-10-6-5-7-11-18/h5-12,14H,3-4,13,15-16H2,1-2H3,(H,23,27)