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

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H29N5O2S MolecularWeight: 391.53086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=CN4C(C)C

InChI

InChI=1S/C19H29N5O2S/c1-11(2)24-10-20-23-18(24)27-12(3)16(25)21-17(26)22-19-7-13-4-14(8-19)6-15(5-13)9-19/h10-15H,4-9H2,1-3H3,(H2,21,22,25,26)/t12-,13?,14?,15?,19?/m1/s1