N-(3-methylbutylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(isoamylcarbamoyl)-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC(=O)NCCC(C)C)C2=CC(=CC=C2)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC(=O)NCCC(C)C)C2=CC(=CC=C2)C

InChI

InChI=1S/C20H29N5O2S/c1-5-11-25-18(16-8-6-7-15(4)12-16)23-24-20(25)28-13-17(26)22-19(27)21-10-9-14(2)3/h6-8,12,14H,5,9-11,13H2,1-4H3,(H2,21,22,26,27)