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

Systemtic Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3S/c1-8(21-12-15-13-7-16(12)2)11(18)14-9-5-3-4-6-10(9)17(19)20/h3-8H,1-2H3,(H,14,18)/t8-/m1/s1