N-(1-adamantylcarbamoyl)-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H31N5O2S/c1-12(2)18-24-25-20(26(18)16-3-4-16)29-11-17(27)22-19(28)23-21-8-13-5-14(9-21)7-15(6-13)10-21/h12-16H,3-11H2,1-2H3,(H2,22,23,27,28)