1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propan-1-amine

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-[(4-tert-butylbenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]propylamine Formula: C17H26N4S MolecularWeight: 318.48014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1C)SCC2=CC=C(C=C2)C(C)(C)C)N

Isomeric SMILES

CCC(C1=NN=C(N1C)SCC2=CC=C(C=C2)C(C)(C)C)N

InChI

InChI=1S/C17H26N4S/c1-6-14(18)15-19-20-16(21(15)5)22-11-12-7-9-13(10-8-12)17(2,3)4/h7-10,14H,6,11,18H2,1-5H3