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

Systemtic Name: 4-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzaldehyde CAS Name: 4-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitrobenzaldehyde Traditional Name: 4-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-3-nitro-benzaldehyde Formula: C15H8Cl2N4O3S MolecularWeight: 395.22002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=O)[N+](=O)[O-])SC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C=O)[N+](=O)[O-])SC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C15H8Cl2N4O3S/c16-9-2-3-10(11(17)6-9)14-18-15(20-19-14)25-13-4-1-8(7-22)5-12(13)21(23)24/h1-7H,(H,18,19,20)