[5-(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-azanide

Systemtic Name: [5-(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-azanide Openeye Name: [5-(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-azanide CAS Name: [5-(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenylazanide IUPAC Name: [5-(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenylazanide Traditional Name: [5-(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-azanide Formula: C21H17N3OS MolecularWeight: 362.424407

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](N=C(S2)[N-]C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=[15N+]([15N]=C(S2)[15N-]C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3OS/c1-25-19-14-12-16(13-15-19)20-24(18-10-6-3-7-11-18)23-21(26-20)22-17-8-4-2-5-9-17/h2-15H,1H3/i22+1,23+1,24+1