1-[4-(oxolan-2-ylmethyl)-5-[(2-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine

Systemtic Name: 1-[4-(oxolan-2-ylmethyl)-5-[(2-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-[(2-phenylphenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[4-(2-oxolanylmethyl)-5-[(2-phenylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[4-(oxolan-2-ylmethyl)-5-[(2-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-[(2-phenylbenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]butylamine Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2CCCO2)SCC3=CC=CC=C3C4=CC=CC=C4)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2CCCO2)SCC3=CC=CC=C3C4=CC=CC=C4)N

InChI

InChI=1S/C24H30N4OS/c1-2-9-22(25)23-26-27-24(28(23)16-20-13-8-15-29-20)30-17-19-12-6-7-14-21(19)18-10-4-3-5-11-18/h3-7,10-12,14,20,22H,2,8-9,13,15-17,25H2,1H3