N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide

Systemtic Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide CAS Name: N-[[4-(4-bromophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1-naphthalenecarboxamide IUPAC Name: N-[[4-(4-bromophenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide Traditional Name: N-[[4-(4-bromophenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1-naphthamide Formula: C23H21BrN4OS MolecularWeight: 481.40804

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21BrN4OS/c1-2-14-30-23-27-26-21(28(23)18-12-10-17(24)11-13-18)15-25-22(29)20-9-5-7-16-6-3-4-8-19(16)20/h3-13H,2,14-15H2,1H3,(H,25,29)