3-[(4-tert-butylphenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-cyclohexyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-cyclohexyl-4-phenyl-1,2,4-triazole Formula: C25H31N3S MolecularWeight: 405.59874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C25H31N3S/c1-25(2,3)21-16-14-19(15-17-21)18-29-24-27-26-23(20-10-6-4-7-11-20)28(24)22-12-8-5-9-13-22/h5,8-9,12-17,20H,4,6-7,10-11,18H2,1-3H3