4-[[3-butyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]aniline

Systemtic Name: 4-[[3-butyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]aniline Openeye Name: 4-[(3-benzylsulfanyl-5-butyl-1,2,4-triazol-4-yl)methyl]aniline CAS Name: 4-[[3-butyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[(3-benzylsulfanyl-5-butyl-1,2,4-triazol-4-yl)methyl]aniline Traditional Name: [4-[[3-(benzylthio)-5-butyl-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C20H24N4S MolecularWeight: 352.49636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC=CC=C3

InChI

InChI=1S/C20H24N4S/c1-2-3-9-19-22-23-20(25-15-17-7-5-4-6-8-17)24(19)14-16-10-12-18(21)13-11-16/h4-8,10-13H,2-3,9,14-15,21H2,1H3