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

Systemtic Name: N-pentan-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Openeye Name: N-(1-methylbutyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline CAS Name: N-pentan-2-yl-4-(1H-1,2,4-triazol-5-ylthio)aniline IUPAC Name: N-pentan-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Traditional Name: 1-methylbutyl-[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:

CCCC(C)NC1=CC=C(C=C1)SC2=NC=NN2

Isomeric SMILES

CCCC(C)NC1=CC=C(C=C1)SC2=NC=NN2

InChI

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