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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C14H17N5O4S MolecularWeight: 351.38088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O4S/c1-2-3-8-18-13(21)16-17-14(18)24-9-12(20)15-10-6-4-5-7-11(10)19(22)23/h4-7H,2-3,8-9H2,1H3,(H,15,20)(H,16,21)