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

Systemtic Name: N-(butylcarbamoyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(butylcarbamoyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(butylcarbamoyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(butylcarbamoyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)SC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)SC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C18H25N5O3S/c1-3-4-11-19-16(25)20-15(24)13(2)27-18-22-21-17(26)23(18)12-10-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3,(H,21,26)(H2,19,20,24,25)