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1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]azocane

1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]azocane

Systemtic Name:1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]azocane
Openeye Name:1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]azocane
CAS Name:1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]azocane
IUPAC Name:1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl]azocane
Traditional Name:1-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl]azocane
Formula: C25H28N4S
MolecularWeight: 416.58162
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CC#CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4


Isomeric SMILES

C1CCCN(CCC1)CC#CCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4


InChI

InChI=1S/C25H28N4S/c1-2-10-18-28(19-11-3-1)20-12-13-21-30-25-27-26-24(22-14-6-4-7-15-22)29(25)23-16-8-5-9-17-23/h4-9,14-17H,1-3,10-11,18-21H2


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