N-(1-adamantylmethyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H29N5OS MolecularWeight: 423.57426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NCC34CC5CC(C3)CC(C5)C4)C6=CN=CC=C6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NCC34CC5CC(C3)CC(C5)C4)C6=CN=CC=C6

InChI

InChI=1S/C23H29N5OS/c29-20(25-14-23-9-15-6-16(10-23)8-17(7-15)11-23)13-30-22-27-26-21(28(22)19-3-4-19)18-2-1-5-24-12-18/h1-2,5,12,15-17,19H,3-4,6-11,13-14H2,(H,25,29)