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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H31N5OS MolecularWeight: 437.60084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NN=C(N4CC=C)C5=CC=NC=C5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NN=C(N4CC=C)C5=CC=NC=C5

InChI

InChI=1S/C24H31N5OS/c1-3-8-29-22(20-4-6-25-7-5-20)27-28-23(29)31-15-21(30)26-16(2)24-12-17-9-18(13-24)11-19(10-17)14-24/h3-7,16-19H,1,8-15H2,2H3,(H,26,30)