1-(3-nitrophenyl)-N-[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine

Systemtic Name: 1-(3-nitrophenyl)-N-[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine Openeye Name: 1-(3-nitrophenyl)-N-[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine CAS Name: 1-(3-nitrophenyl)-N-[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine IUPAC Name: 1-(3-nitrophenyl)-N-[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine Traditional Name: (E)-(3-nitrobenzylidene)-[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]amine Formula: C12H9N7O2S MolecularWeight: 315.31056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=NC2=NN=C(S2)CN3C=NC=N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/C2=NN=C(S2)CN3C=NC=N3

InChI

InChI=1S/C12H9N7O2S/c20-19(21)10-3-1-2-9(4-10)5-14-12-17-16-11(22-12)6-18-8-13-7-15-18/h1-5,7-8H,6H2/b14-5+