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

Systemtic Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[5-(1-adamantyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C28H32N4O3S/c1-34-23-9-8-21(13-24(23)35-2)29-25(33)17-36-27-31-30-26(32(27)22-6-4-3-5-7-22)28-14-18-10-19(15-28)12-20(11-18)16-28/h3-9,13,18-20H,10-12,14-17H2,1-2H3,(H,29,33)