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

Systemtic Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(4-aminobenzyl)-5-butyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-2-3-9-20-23-24-21(25(20)14-16-10-12-18(22)13-11-16)27-15-19(26)17-7-5-4-6-8-17/h4-8,10-13H,2-3,9,14-15,22H2,1H3