2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide

Systemtic Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-propanamide CAS Name: 2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpropanamide Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-propyl-propionamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1CC2=CC=CC=C2)C

InChI

InChI=1S/C16H22N4OS/c1-4-10-17-15(21)12(2)22-16-19-18-13(3)20(16)11-14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,17,21)