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

Systemtic Name: 4-[[3-butyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline Openeye Name: 4-[[3-butyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]aniline CAS Name: 4-[[3-butyl-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[[3-butyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline Traditional Name: [4-[[3-butyl-5-[(2-methylbenzyl)thio]-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC=CC=C3C

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC=CC=C3C

InChI

InChI=1S/C21H26N4S/c1-3-4-9-20-23-24-21(26-15-18-8-6-5-7-16(18)2)25(20)14-17-10-12-19(22)13-11-17/h5-8,10-13H,3-4,9,14-15,22H2,1-2H3