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

Systemtic Name: N-heptan-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Openeye Name: N-(1-methylhexyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline CAS Name: N-heptan-2-yl-4-(1H-1,2,4-triazol-5-ylthio)aniline IUPAC Name: N-heptan-2-yl-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Traditional Name: 1-methylhexyl-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C15H22N4S MolecularWeight: 290.42698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4S/c1-3-4-5-6-12(2)18-13-7-9-14(10-8-13)20-15-16-11-17-19-15/h7-12,18H,3-6H2,1-2H3,(H,16,17,19)