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

Systemtic Name: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-acetamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4O2S/c1-3-29-19-6-4-18(5-7-19)24-20(28)14-30-22-26-25-21(27(22)2)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,15-17H,3,8-14H2,1-2H3,(H,24,28)