N-(2-methylpropylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-methylpropylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(isobutylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methylpropylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(isobutylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C(C)SC1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)C(C)SC1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C16H21N5O2S/c1-11(2)9-17-15(23)19-14(22)12(3)24-16-20-18-10-21(16)13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H2,17,19,22,23)