3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-methyl-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-methyl-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C21H18BrN3S MolecularWeight: 424.35672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H18BrN3S/c1-25-20(13-17-9-5-8-16-7-2-3-11-19(16)17)23-24-21(25)26-14-15-6-4-10-18(22)12-15/h2-12H,13-14H2,1H3