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

Systemtic Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-(4-aminobenzyl)-5-butyl-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC(=O)NC

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC(=O)NC

InChI

InChI=1S/C16H23N5OS/c1-3-4-5-14-19-20-16(23-11-15(22)18-2)21(14)10-12-6-8-13(17)9-7-12/h6-9H,3-5,10-11,17H2,1-2H3,(H,18,22)