N-(1-adamantyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)ethanamide Openeye Name: N-(1-adamantyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)acetamide CAS Name: N-(1-adamantyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)acetamide Traditional Name: N-(1-adamantyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31N5O2S/c1-2-3-6-25-19(28)23-24-20(25)29-14-18(27)26(7-4-5-22)21-11-15-8-16(12-21)10-17(9-15)13-21/h15-17H,2-4,6-14H2,1H3,(H,23,28)