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

Systemtic Name: (2R)-N-(4-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(4-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-nitrophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3S/c1-12(16(23)19-13-7-9-15(10-8-13)22(24)25)26-17-20-18-11-21(17)14-5-3-2-4-6-14/h2-12H,1H3,(H,19,23)/t12-/m1/s1