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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SC(C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SC(C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N5O2S/c1-14-6-4-5-7-19(14)20-27-28-23(29(20)3)32-15(2)21(30)25-22(31)26-24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,15-18H,8-13H2,1-3H3,(H2,25,26,30,31)