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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H25N5O2S2 MolecularWeight: 431.5748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NNC(=N4)C5=CC=CS5

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NNC(=N4)C5=CC=CS5

InChI

InChI=1S/C20H25N5O2S2/c1-11(29-19-21-16(24-25-19)15-3-2-4-28-15)17(26)22-18(27)23-20-8-12-5-13(9-20)7-14(6-12)10-20/h2-4,11-14H,5-10H2,1H3,(H,21,24,25)(H2,22,23,26,27)