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

Systemtic Name: 4-[(3-butyl-5-phenylsulfanyl-1,2,4-triazol-4-yl)methyl]aniline Openeye Name: 4-[(3-butyl-5-phenylsulfanyl-1,2,4-triazol-4-yl)methyl]aniline CAS Name: 4-[[3-butyl-5-(phenylthio)-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[(3-butyl-5-phenylsulfanyl-1,2,4-triazol-4-yl)methyl]aniline Traditional Name: [4-[[3-butyl-5-(phenylthio)-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C19H22N4S MolecularWeight: 338.46978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SC3=CC=CC=C3

InChI

InChI=1S/C19H22N4S/c1-2-3-9-18-21-22-19(24-17-7-5-4-6-8-17)23(18)14-15-10-12-16(20)13-11-15/h4-8,10-13H,2-3,9,14,20H2,1H3