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

Systemtic Name: 3-(4-tert-butylphenyl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazole Formula: C20H23N3S MolecularWeight: 337.48172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3S/c1-20(2,3)17-12-10-16(11-13-17)18-21-22-19(23(18)4)24-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3