N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]naphthalen-1-amine

Systemtic Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]naphthalen-1-amine Openeye Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]naphthalen-1-amine CAS Name: N-[[5-[(3-bromophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1-naphthalenamine IUPAC Name: N-[[5-[(3-bromophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]naphthalen-1-amine Traditional Name: [5-[(3-bromobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl-(1-naphthyl)amine Formula: C26H21BrN4S MolecularWeight: 501.44074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)CNC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)Br)CNC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H21BrN4S/c27-21-11-6-8-19(16-21)18-32-26-30-29-25(31(26)22-12-2-1-3-13-22)17-28-24-15-7-10-20-9-4-5-14-23(20)24/h1-16,28H,17-18H2