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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-isobutyl-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-[(4-tert-butylbenzyl)thio]-4-isobutyl-1,2,4-triazol-3-yl]butylamine Formula: C21H34N4S MolecularWeight: 374.58646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4S/c1-7-8-18(22)19-23-24-20(25(19)13-15(2)3)26-14-16-9-11-17(12-10-16)21(4,5)6/h9-12,15,18H,7-8,13-14,22H2,1-6H3