4-(5-dodecan-2-ylsulfanyl-4-hexyl-1,2,4-triazol-3-yl)pyridine

Systemtic Name: 4-(5-dodecan-2-ylsulfanyl-4-hexyl-1,2,4-triazol-3-yl)pyridine Openeye Name: 4-[4-hexyl-5-(1-methylundecylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[5-(dodecan-2-ylthio)-4-hexyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-(5-dodecan-2-ylsulfanyl-4-hexyl-1,2,4-triazol-3-yl)pyridine Traditional Name: 4-[4-hexyl-5-(1-methylundecylthio)-1,2,4-triazol-3-yl]pyridine Formula: C25H42N4S MolecularWeight: 430.69278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SC1=NN=C(N1CCCCCC)C2=CC=NC=C2

Isomeric SMILES

CCCCCCCCCCC(C)SC1=NN=C(N1CCCCCC)C2=CC=NC=C2

InChI

InChI=1S/C25H42N4S/c1-4-6-8-10-11-12-13-14-16-22(3)30-25-28-27-24(23-17-19-26-20-18-23)29(25)21-15-9-7-5-2/h17-20,22H,4-16,21H2,1-3H3