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

Systemtic Name: (2R)-N-(1-adamantyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H28N4OS MolecularWeight: 348.50612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4OS/c1-11(2)22-10-19-21-17(22)24-12(3)16(23)20-18-7-13-4-14(8-18)6-15(5-13)9-18/h10-15H,4-9H2,1-3H3,(H,20,23)/t12-,13?,14?,15?,18?/m1/s1