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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5CC5)C6=CC=NC=C6

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C5CC5)C6=CC=NC=C6

InChI

InChI=1S/C23H29N5OS/c1-14(21(29)25-23-11-15-8-16(12-23)10-17(9-15)13-23)30-22-27-26-20(28(22)19-2-3-19)18-4-6-24-7-5-18/h4-7,14-17,19H,2-3,8-13H2,1H3,(H,25,29)