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

Systemtic Name: N-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

InChI

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