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

Systemtic Name: (2R)-N-(1-adamantyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[[4-allyl-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(N4CC=C)C5=CC=NC=C5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CC=C)C5=CC=NC=C5

InChI

InChI=1S/C23H29N5OS/c1-3-8-28-20(19-4-6-24-7-5-19)26-27-22(28)30-15(2)21(29)25-23-12-16-9-17(13-23)11-18(10-16)14-23/h3-7,15-18H,1,8-14H2,2H3,(H,25,29)/t15-,16?,17?,18?,23?/m1/s1