3-[(3-bromophenyl)methylsulfanyl]-5-(methoxymethyl)-4-naphthalen-1-yl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(methoxymethyl)-4-naphthalen-1-yl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(methoxymethyl)-4-(1-naphthyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(methoxymethyl)-4-(1-naphthalenyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(methoxymethyl)-4-naphthalen-1-yl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-(methoxymethyl)-4-(1-naphthyl)-1,2,4-triazole Formula: C21H18BrN3OS MolecularWeight: 440.35612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1C2=CC=CC3=CC=CC=C32)SCC4=CC(=CC=C4)Br

Isomeric SMILES

COCC1=NN=C(N1C2=CC=CC3=CC=CC=C32)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H18BrN3OS/c1-26-13-20-23-24-21(27-14-15-6-4-9-17(22)12-15)25(20)19-11-5-8-16-7-2-3-10-18(16)19/h2-12H,13-14H2,1H3