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

Systemtic Name: (2R)-2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-cyanophenyl)propanamide Openeye Name: (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-cyanophenyl)propanamide CAS Name: (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-cyanophenyl)propanamide IUPAC Name: (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-cyanophenyl)propanamide Traditional Name: (2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-cyanophenyl)propionamide Formula: C13H14N6OS MolecularWeight: 302.35486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SC(C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=NN=C(N1N)S[C@H](C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H14N6OS/c1-8(21-13-18-17-9(2)19(13)15)12(20)16-11-5-3-10(7-14)4-6-11/h3-6,8H,15H2,1-2H3,(H,16,20)/t8-/m1/s1