N-(1-adamantyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC5=CC=CC=C5)C6CC6

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC5=CC=CC=C5)C6CC6

InChI

InChI=1S/C25H32N4OS/c1-16(23(30)26-25-12-18-9-19(13-25)11-20(10-18)14-25)31-24-28-27-22(21-7-8-21)29(24)15-17-5-3-2-4-6-17/h2-6,16,18-21H,7-15H2,1H3,(H,26,30)