3-(4-tert-butylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(4-tert-butylphenyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-(1-naphthalenylmethylthio)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(4-tert-butylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-(4-tert-butylphenyl)-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C30H29N3S MolecularWeight: 463.63636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H29N3S/c1-30(2,3)26-18-16-24(17-19-26)28-31-32-29(33(28)20-22-10-5-4-6-11-22)34-21-25-14-9-13-23-12-7-8-15-27(23)25/h4-19H,20-21H2,1-3H3