4-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-benzaldehyde

Systemtic Name: 4-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-benzaldehyde Openeye Name: 4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-nitro-benzaldehyde CAS Name: 4-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-nitrobenzaldehyde Traditional Name: 4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]-3-nitro-benzaldehyde Formula: C16H13N5O3S MolecularWeight: 355.37112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N5O3S/c1-10-3-5-13(7-11(10)2)20-16(17-18-19-20)25-15-6-4-12(9-22)8-14(15)21(23)24/h3-9H,1-2H3