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

Systemtic Name: (2R)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C11H12N6O3S MolecularWeight: 308.31638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NNC(=N2)N

Isomeric SMILES

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

InChI

InChI=1S/C11H12N6O3S/c1-6(21-11-14-10(12)15-16-11)9(18)13-7-4-2-3-5-8(7)17(19)20/h2-6H,1H3,(H,13,18)(H3,12,14,15,16)/t6-/m1/s1