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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H31N5O3S MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H31N5O3S/c1-3-4-5-25-18(28)23-24-19(25)29-12(2)16(26)21-17(27)22-20-9-13-6-14(10-20)8-15(7-13)11-20/h12-15H,3-11H2,1-2H3,(H,23,28)(H2,21,22,26,27)