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

Systemtic Name: 4-[[3-butyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline Openeye Name: 4-[[3-butyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-4-yl]methyl]aniline CAS Name: 4-[[3-butyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[[3-butyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline Traditional Name: [4-[[3-butyl-5-[(3-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(=C3)C

Isomeric SMILES

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

InChI

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