N-(1-adamantylcarbamoyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=NN4

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=NN4

InChI

InChI=1S/C16H23N5O2S/c1-9(24-15-17-8-18-21-15)13(22)19-14(23)20-16-5-10-2-11(6-16)4-12(3-10)7-16/h8-12H,2-7H2,1H3,(H,17,18,21)(H2,19,20,22,23)