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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(1-naphthalenylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-5-(1-naphthylmethylthio)-1,2,4-triazole Formula: C29H26ClN3S MolecularWeight: 484.05484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C29H26ClN3S/c1-29(2,3)23-13-11-21(12-14-23)27-31-32-28(33(27)25-17-15-24(30)16-18-25)34-19-22-9-6-8-20-7-4-5-10-26(20)22/h4-18H,19H2,1-3H3