(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide

Systemtic Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide Openeye Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide CAS Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)butanamide IUPAC Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide Traditional Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)butyramide Formula: C13H15N5O3S MolecularWeight: 321.3549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=CN2C

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=CN2C

InChI

InChI=1S/C13H15N5O3S/c1-3-11(22-13-16-14-8-17(13)2)12(19)15-9-4-6-10(7-5-9)18(20)21/h4-8,11H,3H2,1-2H3,(H,15,19)/t11-/m1/s1