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

Systemtic Name: 4-[[3-butyl-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]aniline Openeye Name: 4-[[3-butyl-5-(2-naphthylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]aniline CAS Name: 4-[[3-butyl-5-(2-naphthalenylmethylthio)-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[[3-butyl-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]aniline Traditional Name: [4-[[3-butyl-5-(2-naphthylmethylthio)-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C24H26N4S MolecularWeight: 402.55504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H26N4S/c1-2-3-8-23-26-27-24(28(23)16-18-10-13-22(25)14-11-18)29-17-19-9-12-20-6-4-5-7-21(20)15-19/h4-7,9-15H,2-3,8,16-17,25H2,1H3