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

Systemtic Name: 4-[(3-butyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)methyl]aniline Openeye Name: 4-[(3-butyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)methyl]aniline CAS Name: 4-[[3-butyl-5-(phenethylthio)-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[(3-butyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)methyl]aniline Traditional Name: [4-[[3-butyl-5-(phenethylthio)-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)SCCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4S/c1-2-3-9-20-23-24-21(26-15-14-17-7-5-4-6-8-17)25(20)16-18-10-12-19(22)13-11-18/h4-8,10-13H,2-3,9,14-16,22H2,1H3