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

Systemtic Name: 4-[[3-(phenylmethylsulfanyl)-5-propyl-1,2,4-triazol-4-yl]methyl]aniline Openeye Name: 4-[(3-benzylsulfanyl-5-propyl-1,2,4-triazol-4-yl)methyl]aniline CAS Name: 4-[[3-(phenylmethylthio)-5-propyl-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[(3-benzylsulfanyl-5-propyl-1,2,4-triazol-4-yl)methyl]aniline Traditional Name: [4-[[3-(benzylthio)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC=CC=C3

InChI

InChI=1S/C19H22N4S/c1-2-6-18-21-22-19(24-14-16-7-4-3-5-8-16)23(18)13-15-9-11-17(20)12-10-15/h3-5,7-12H,2,6,13-14,20H2,1H3