4-butan-2-yl-3-dodecan-2-ylsulfanyl-1,2,4-triazole

Systemtic Name: 4-butan-2-yl-3-dodecan-2-ylsulfanyl-1,2,4-triazole Openeye Name: 3-(1-methylundecylsulfanyl)-4-sec-butyl-1,2,4-triazole CAS Name: 4-butan-2-yl-3-(dodecan-2-ylthio)-1,2,4-triazole IUPAC Name: 4-butan-2-yl-3-dodecan-2-ylsulfanyl-1,2,4-triazole Traditional Name: 3-(1-methylundecylthio)-4-sec-butyl-1,2,4-triazole Formula: C18H35N3S MolecularWeight: 325.5556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SC1=NN=CN1C(C)CC

Isomeric SMILES

CCCCCCCCCCC(C)SC1=NN=CN1C(C)CC

InChI

InChI=1S/C18H35N3S/c1-5-7-8-9-10-11-12-13-14-17(4)22-18-20-19-15-21(18)16(3)6-2/h15-17H,5-14H2,1-4H3