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

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethanoylphenyl)propanamide Openeye Name: N-(2-acetylphenyl)-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-acetylphenyl)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-acetylphenyl)-2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-acetylphenyl)-2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C(=O)NC3=CC=CC=C3C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SC(C)C(=O)NC3=CC=CC=C3C(=O)C

InChI

InChI=1S/C20H21N5O2S/c1-12-8-10-15(11-9-12)18-23-24-20(25(18)21)28-14(3)19(27)22-17-7-5-4-6-16(17)13(2)26/h4-11,14H,21H2,1-3H3,(H,22,27)