1-[4-(4-tert-butylphenyl)-2-methylsulfanyl-butyl]-1,2,4-triazole

Systemtic Name: 1-[4-(4-tert-butylphenyl)-2-methylsulfanyl-butyl]-1,2,4-triazole Openeye Name: 1-[4-(4-tert-butylphenyl)-2-methylsulfanyl-butyl]-1,2,4-triazole CAS Name: 1-[4-(4-tert-butylphenyl)-2-(methylthio)butyl]-1,2,4-triazole IUPAC Name: 1-[4-(4-tert-butylphenyl)-2-methylsulfanylbutyl]-1,2,4-triazole Traditional Name: 1-[4-(4-tert-butylphenyl)-2-(methylthio)butyl]-1,2,4-triazole Formula: C17H25N3S MolecularWeight: 303.4655

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(CN2C=NC=N2)SC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(CN2C=NC=N2)SC

InChI

InChI=1S/C17H25N3S/c1-17(2,3)15-8-5-14(6-9-15)7-10-16(21-4)11-20-13-18-12-19-20/h5-6,8-9,12-13,16H,7,10-11H2,1-4H3