N-(2-ethanoylphenyl)-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-(2-ethanoylphenyl)-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-(2-acetylphenyl)-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(2-acetylphenyl)-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-(2-acetylphenyl)-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-(2-acetylphenyl)-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CCCSC2=NN=CN2C3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CCCSC2=NN=CN2C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22N4O3S/c1-15(26)18-9-3-4-10-19(18)23-20(27)11-6-12-29-21-24-22-14-25(21)16-7-5-8-17(13-16)28-2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,23,27)