N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]cyclooctanamine

Systemtic Name: N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]cyclooctanamine Openeye Name: N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]cyclooctanamine CAS Name: N-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]cyclooctanamine IUPAC Name: N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]cyclooctanamine Traditional Name: cyclooctyl-[4-(1H-1,2,4-triazol-5-ylthio)phenyl]amine Formula: C16H22N4S MolecularWeight: 302.43768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=CC=C(C=C2)SC3=NC=NN3

Isomeric SMILES

C1CCCC(CCC1)NC2=CC=C(C=C2)SC3=NC=NN3

InChI

InChI=1S/C16H22N4S/c1-2-4-6-13(7-5-3-1)19-14-8-10-15(11-9-14)21-16-17-12-18-20-16/h8-13,19H,1-7H2,(H,17,18,20)