4-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde

Systemtic Name: 4-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitro-benzaldehyde Formula: C16H11ClN4O4S MolecularWeight: 390.80094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O4S/c1-25-13-4-3-10(17)7-11(13)15-18-16(20-19-15)26-14-5-2-9(8-22)6-12(14)21(23)24/h2-8H,1H3,(H,18,19,20)