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

Systemtic Name: 2-[(2-ethanoyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(2-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(2-acetyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(2-acetyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(2-acetyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O4S/c1-12(24)22-18(20-17(21-22)13-6-3-2-4-7-13)28-11-16(25)19-14-8-5-9-15(10-14)23(26)27/h2-10H,11H2,1H3,(H,19,25)