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

Systemtic Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3S/c1-2-17-21-22-19(23(17)15-6-4-3-5-7-15)28-13-12-18(25)20-14-8-10-16(11-9-14)24(26)27/h3-11H,2,12-13H2,1H3,(H,20,25)