N-(3-methylbutylcarbamoyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(isoamylcarbamoyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C18H25N5O3S/c1-13(2)8-10-19-16(25)20-15(24)12-27-18-22-21-17(26)23(18)11-9-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,21,26)(H2,19,20,24,25)