3-(4-methoxyphenyl)-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-2-imine

Systemtic Name: 3-(4-methoxyphenyl)-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-2-imine Openeye Name: 3-(4-methoxyphenyl)-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-2-imine CAS Name: 3-(4-methoxyphenyl)-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-2-imine IUPAC Name: 3-(4-methoxyphenyl)-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-2-imine Traditional Name: [3-(4-methoxyphenyl)-5-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]-phenyl-amine Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3)SC(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3)SC(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c1-28-19-13-11-17(12-14-19)24-21(22-16-5-3-2-4-6-16)29-20(23-24)15-7-9-18(10-8-15)25(26)27/h2-14H,1H3