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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C28H31N5OS MolecularWeight: 485.64364

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

InChI

InChI=1S/C28H31N5OS/c1-2-11-33-26(22-7-9-29-10-8-22)31-32-27(33)35-18-25(34)30-24-5-3-23(4-6-24)28-15-19-12-20(16-28)14-21(13-19)17-28/h2-10,19-21H,1,11-18H2,(H,30,34)