2-bromanyl-1-[2-[3-(5-heptylsulfanyl-1,2,3-triazol-1-yl)tetradecoxy]phenyl]ethanone

Systemtic Name: 2-bromanyl-1-[2-[3-(5-heptylsulfanyl-1,2,3-triazol-1-yl)tetradecoxy]phenyl]ethanone Openeye Name: 2-bromo-1-[2-[3-(5-heptylsulfanyltriazol-1-yl)tetradecoxy]phenyl]ethanone CAS Name: 2-bromo-1-[2-[3-[5-(heptylthio)-1-triazolyl]tetradecoxy]phenyl]ethanone IUPAC Name: 2-bromo-1-[2-[3-(5-heptylsulfanyltriazol-1-yl)tetradecoxy]phenyl]ethanone Traditional Name: 2-bromo-1-[2-[3-[5-(heptylthio)triazol-1-yl]tetradecoxy]phenyl]ethanone Formula: C31H50BrN3O2S MolecularWeight: 608.7166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCOC1=CC=CC=C1C(=O)CBr)N2C(=CN=N2)SCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CCOC1=CC=CC=C1C(=O)CBr)N2C(=CN=N2)SCCCCCCC

InChI

InChI=1S/C31H50BrN3O2S/c1-3-5-7-9-10-11-12-13-15-19-27(22-23-37-30-21-17-16-20-28(30)29(36)25-32)35-31(26-33-34-35)38-24-18-14-8-6-4-2/h16-17,20-21,26-27H,3-15,18-19,22-25H2,1-2H3