N-(5-methylheptan-3-yl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline

Systemtic Name: N-(5-methylheptan-3-yl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Openeye Name: N-(1-ethyl-3-methyl-pentyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline CAS Name: N-(5-methylheptan-3-yl)-4-(1H-1,2,4-triazol-5-ylthio)aniline IUPAC Name: N-(5-methylheptan-3-yl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline Traditional Name: (1-ethyl-3-methyl-pentyl)-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C16H24N4S MolecularWeight: 304.45356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4S/c1-4-12(3)10-13(5-2)19-14-6-8-15(9-7-14)21-16-17-11-18-20-16/h6-9,11-13,19H,4-5,10H2,1-3H3,(H,17,18,20)