N-(2-methoxy-5-nitro-phenyl)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O5S/c1-28-15-8-7-13(23(26)27)9-14(15)19-16(24)11-29-18-21-20-17(25)22(18)10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,19,24)(H,20,25)