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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

InChI

InChI=1S/C25H33N5O2S/c1-3-30-21(12-17-7-5-4-6-8-17)28-29-24(30)33-16(2)22(31)26-23(32)27-25-13-18-9-19(14-25)11-20(10-18)15-25/h4-8,16,18-20H,3,9-15H2,1-2H3,(H2,26,27,31,32)