3-cyclohexylsulfanyl-5-tridecyl-1H-1,2,4-triazole

Systemtic Name: 3-cyclohexylsulfanyl-5-tridecyl-1H-1,2,4-triazole Openeye Name: 3-cyclohexylsulfanyl-5-tridecyl-1H-1,2,4-triazole CAS Name: 3-(cyclohexylthio)-5-tridecyl-1H-1,2,4-triazole IUPAC Name: 3-cyclohexylsulfanyl-5-tridecyl-1H-1,2,4-triazole Traditional Name: 3-(cyclohexylthio)-5-tridecyl-1H-1,2,4-triazole Formula: C21H39N3S MolecularWeight: 365.61946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NC(=NN1)SC2CCCCC2

Isomeric SMILES

CCCCCCCCCCCCCC1=NC(=NN1)SC2CCCCC2

InChI

InChI=1S/C21H39N3S/c1-2-3-4-5-6-7-8-9-10-11-15-18-20-22-21(24-23-20)25-19-16-13-12-14-17-19/h19H,2-18H2,1H3,(H,22,23,24)