N-(1-adamantyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C26H35N5OS MolecularWeight: 465.654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5=CC=CC=C5)CN6CCCC6

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5=CC=CC=C5)CN6CCCC6

InChI

InChI=1S/C26H35N5OS/c1-18(24(32)27-26-14-19-11-20(15-26)13-21(12-19)16-26)33-25-29-28-23(17-30-9-5-6-10-30)31(25)22-7-3-2-4-8-22/h2-4,7-8,18-21H,5-6,9-17H2,1H3,(H,27,32)