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

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SC(C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1C2CC2)S[C@H](C)C(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H29N5O2S/c1-11(28-19-24-23-12(2)25(19)16-3-4-16)17(26)21-18(27)22-20-8-13-5-14(9-20)7-15(6-13)10-20/h11,13-16H,3-10H2,1-2H3,(H2,21,22,26,27)/t11-,13?,14?,15?,20?/m1/s1