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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H29N5O2S MolecularWeight: 439.57366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N5O2S/c1-14-5-3-4-6-19(14)28-13-24-27-22(28)31-15(2)20(29)25-21(30)26-23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,13,15-18H,7-12H2,1-2H3,(H2,25,26,29,30)