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

Systemtic Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Openeye Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide CAS Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propanamide IUPAC Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)propanamide Traditional Name: (2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)propionamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O3S/c1-13(19(26)21-16-9-5-6-10-17(16)25(27)28)29-20-22-18(14-11-12-14)24(23-20)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,21,26)/t13-/m1/s1