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

Systemtic Name: N-(1-adamantyl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

InChI

InChI=1S/C27H31N5OS/c1-2-18-3-5-23(6-4-18)32-25(22-7-9-28-10-8-22)30-31-26(32)34-17-24(33)29-27-14-19-11-20(15-27)13-21(12-19)16-27/h3-10,19-21H,2,11-17H2,1H3,(H,29,33)