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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O3S/c25-17(20-15-8-4-5-9-16(15)24(26)27)12-28-19-22-21-18(13-10-11-13)23(19)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,20,25)