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

Systemtic Name: 3,4-bis[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzaldehyde Openeye Name: 3,4-bis[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzaldehyde CAS Name: 3,4-bis[(4-methyl-1,2,4-triazol-3-yl)thio]-5-nitrobenzaldehyde IUPAC Name: 3,4-bis[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzaldehyde Traditional Name: 3,4-bis[(4-methyl-1,2,4-triazol-3-yl)thio]-5-nitro-benzaldehyde Formula: C13H11N7O3S2 MolecularWeight: 377.40154

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC(=CC(=C2SC3=NN=CN3C)[N+](=O)[O-])C=O

Isomeric SMILES

CN1C=NN=C1SC2=CC(=CC(=C2SC3=NN=CN3C)[N+](=O)[O-])C=O

InChI

InChI=1S/C13H11N7O3S2/c1-18-6-14-16-12(18)24-10-4-8(5-21)3-9(20(22)23)11(10)25-13-17-15-7-19(13)2/h3-7H,1-2H3