3-[2-(1-adamantyl)ethylsulfanyl]-5-propyl-1H-1,2,4-triazole

Systemtic Name: 3-[2-(1-adamantyl)ethylsulfanyl]-5-propyl-1H-1,2,4-triazole Openeye Name: 3-[2-(1-adamantyl)ethylsulfanyl]-5-propyl-1H-1,2,4-triazole CAS Name: 3-[2-(1-adamantyl)ethylthio]-5-propyl-1H-1,2,4-triazole IUPAC Name: 3-[2-(1-adamantyl)ethylsulfanyl]-5-propyl-1H-1,2,4-triazole Traditional Name: 3-[2-(1-adamantyl)ethylthio]-5-propyl-1H-1,2,4-triazole Formula: C17H27N3S MolecularWeight: 305.48138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCC1=NC(=NN1)SCCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H27N3S/c1-2-3-15-18-16(20-19-15)21-5-4-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,2-11H2,1H3,(H,18,19,20)