3-(1-adamantyl)-4-butyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1-adamantyl)-4-butyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-butyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-butyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-butyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-butyl-1H-1,2,4-triazole-5-thione Formula: C16H25N3S MolecularWeight: 291.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCN1C(=NNC1=S)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H25N3S/c1-2-3-4-19-14(17-18-15(19)20)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,2-10H2,1H3,(H,18,20)