2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide

Systemtic Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Openeye Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)propanamide IUPAC Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide Traditional Name: 2-[[5-(3-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-propionamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C22H25N5O3S/c1-5-30-19-11-9-17(10-12-19)24-21(29)14(2)31-22-26-25-20(27(22)4)16-7-6-8-18(13-16)23-15(3)28/h6-14H,5H2,1-4H3,(H,23,28)(H,24,29)