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

Systemtic Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide CAS Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide Traditional Name: 2-[[5-(3-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)acetamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-12(13-6-3-2-4-7-13)19-16(24)11-27-18-20-17(21-22-18)14-8-5-9-15(10-14)23(25)26/h2-10,12H,11H2,1H3,(H,19,24)(H,20,21,22)