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

Systemtic Name: 2-[[4-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-acetamide CAS Name: 2-[[4-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC)CC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC)CC2=CC=CC=C2

InChI

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