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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-[(4-tert-butylbenzyl)thio]-4-isobutyl-1,2,4-triazol-3-yl]propylamine Formula: C20H32N4S MolecularWeight: 360.55988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC(C)C)SCC2=CC=C(C=C2)C(C)(C)C)N

Isomeric SMILES

CCC(C1=NN=C(N1CC(C)C)SCC2=CC=C(C=C2)C(C)(C)C)N

InChI

InChI=1S/C20H32N4S/c1-7-17(21)18-22-23-19(24(18)12-14(2)3)25-13-15-8-10-16(11-9-15)20(4,5)6/h8-11,14,17H,7,12-13,21H2,1-6H3