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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H29N5O3S/c1-2-3-4-24-17(27)22-23-18(24)28-11-15(25)20-16(26)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h12-14H,2-11H2,1H3,(H,22,27)(H2,20,21,25,26)