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

Systemtic Name: (2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide Openeye Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide CAS Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3-cyanophenyl)propanamide IUPAC Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide Traditional Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3-cyanophenyl)propionamide Formula: C12H12N6OS MolecularWeight: 288.32828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NNC(=N2)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)SC2=NNC(=N2)N

InChI

InChI=1S/C12H12N6OS/c1-7(20-12-16-11(14)17-18-12)10(19)15-9-4-2-3-8(5-9)6-13/h2-5,7H,1H3,(H,15,19)(H3,14,16,17,18)/t7-/m1/s1