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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[4-benzyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[4-benzyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[4-benzyl-5-[(4-tert-butylbenzyl)thio]-1,2,4-triazol-3-yl]butylamine Formula: C24H32N4S MolecularWeight: 408.60268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=C(C=C3)C(C)(C)C)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=C(C=C3)C(C)(C)C)N

InChI

InChI=1S/C24H32N4S/c1-5-9-21(25)22-26-27-23(28(22)16-18-10-7-6-8-11-18)29-17-19-12-14-20(15-13-19)24(2,3)4/h6-8,10-15,21H,5,9,16-17,25H2,1-4H3