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

Systemtic Name: (2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide Openeye Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide CAS Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide Traditional Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclohexyl)propionamide Formula: C12H18N6OS MolecularWeight: 294.37592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NNC(=N2)N

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NNC(=N2)N

InChI

InChI=1S/C12H18N6OS/c1-8(20-11-15-10(14)17-18-11)9(19)16-12(7-13)5-3-2-4-6-12/h8H,2-6H2,1H3,(H,16,19)(H3,14,15,17,18)/t8-/m1/s1