2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide

Systemtic Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide Openeye Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide CAS Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)butanamide IUPAC Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)butanamide Traditional Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)butyramide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SC(CC)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SC(CC)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-3-17(19(26)21-14-10-12-16(13-11-14)25(27)28)29-20-23-22-18(4-2)24(20)15-8-6-5-7-9-15/h5-13,17H,3-4H2,1-2H3,(H,21,26)