3-(4-tert-butylphenyl)-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole Formula: C25H25N3S MolecularWeight: 399.5511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3S/c1-25(2,3)21-16-14-20(15-17-21)23-26-27-24(28(23)22-12-8-5-9-13-22)29-18-19-10-6-4-7-11-19/h4-17H,18H2,1-3H3