2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethanoylphenyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethanoylphenyl)propanamide Openeye Name: N-(2-acetylphenyl)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-acetylphenyl)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-acetylphenyl)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-acetylphenyl)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NN=C(N2N)C3=CC=CC=C3OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=NN=C(N2N)C3=CC=CC=C3OC

InChI

InChI=1S/C20H21N5O3S/c1-12(26)14-8-4-6-10-16(14)22-19(27)13(2)29-20-24-23-18(25(20)21)15-9-5-7-11-17(15)28-3/h4-11,13H,21H2,1-3H3,(H,22,27)