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

Systemtic Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(2-methoxy-4-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(2-methoxy-4-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(2-methoxy-4-nitro-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O4S/c1-8(23-13-16-14-7-17(13)2)12(19)15-10-5-4-9(18(20)21)6-11(10)22-3/h4-8H,1-3H3,(H,15,19)/t8-/m1/s1