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

Systemtic Name: (2R)-N-(1-adamantyl)-2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C16H25N5OS MolecularWeight: 335.4676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NN=C(N1N)S[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H25N5OS/c1-9(23-15-20-19-10(2)21(15)17)14(22)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h9,11-13H,3-8,17H2,1-2H3,(H,18,22)/t9-,11?,12?,13?,16?/m1/s1