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4-(5-octadecylsulfanyl-4-piperidin-3-yl-1,2,4-triazol-3-yl)aniline

4-(5-octadecylsulfanyl-4-piperidin-3-yl-1,2,4-triazol-3-yl)aniline

Systemtic Name:4-(5-octadecylsulfanyl-4-piperidin-3-yl-1,2,4-triazol-3-yl)aniline
Openeye Name:4-[5-octadecylsulfanyl-4-(3-piperidyl)-1,2,4-triazol-3-yl]aniline
CAS Name:4-[5-(octadecylthio)-4-(3-piperidinyl)-1,2,4-triazol-3-yl]aniline
IUPAC Name:4-(5-octadecylsulfanyl-4-piperidin-3-yl-1,2,4-triazol-3-yl)aniline
Traditional Name:[4-[4-(3-piperidyl)-5-(stearylthio)-1,2,4-triazol-3-yl]phenyl]amine
Formula: C31H53N5S
MolecularWeight: 527.85102
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2CCCNC2)C3=CC=C(C=C3)N


Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=NN=C(N1C2CCCNC2)C3=CC=C(C=C3)N


InChI

InChI=1S/C31H53N5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-37-31-35-34-30(27-20-22-28(32)23-21-27)36(31)29-19-18-24-33-26-29/h20-23,29,33H,2-19,24-26,32H2,1H3


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