2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[[5-(1-adamantylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-p-cumenyl-acetamide Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N4OS/c1-16(2)20-4-6-21(7-5-20)26-23(30)15-31-24-28-27-22(29(24)3)14-25-11-17-8-18(12-25)10-19(9-17)13-25/h4-7,16-19H,8-15H2,1-3H3,(H,26,30)