N-pentyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline

Systemtic Name: N-pentyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Openeye Name: N-pentyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline CAS Name: N-pentyl-4-(1H-1,2,4-triazol-5-ylthio)aniline IUPAC Name: N-pentyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Traditional Name: amyl-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC=C(C=C1)SC2=NC=NN2

Isomeric SMILES

CCCCCNC1=CC=C(C=C1)SC2=NC=NN2

InChI

InChI=1S/C13H18N4S/c1-2-3-4-9-14-11-5-7-12(8-6-11)18-13-15-10-16-17-13/h5-8,10,14H,2-4,9H2,1H3,(H,15,16,17)