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

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(isoamylcarbamoyl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC(=O)NCCC(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC(=O)NCCC(C)C)C

InChI

InChI=1S/C18H25N5O2S/c1-12(2)8-9-19-17(25)20-16(24)11-26-18-22-21-14(4)23(18)15-7-5-6-13(3)10-15/h5-7,10,12H,8-9,11H2,1-4H3,(H2,19,20,24,25)