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

Systemtic Name: (2R)-N-(2-nitrophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(2-nitrophenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(2-nitrophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(2-nitrophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(2-nitrophenyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H14N6O3S MolecularWeight: 370.38576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H14N6O3S/c1-10(15(23)18-12-4-2-3-5-13(12)22(24)25)26-16-19-14(20-21-16)11-6-8-17-9-7-11/h2-10H,1H3,(H,18,23)(H,19,20,21)/t10-/m1/s1