5-[2-(4-methoxyphenyl)-5-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-3-yl]-1,3-benzothiazole

Systemtic Name: 5-[2-(4-methoxyphenyl)-5-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-3-yl]-1,3-benzothiazole Openeye Name: 5-[2-(4-methoxyphenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium-3-yl]-1,3-benzothiazole CAS Name: 5-[2-(4-methoxyphenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium-3-yl]-1,3-benzothiazole IUPAC Name: 5-[2-(4-methoxyphenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium-3-yl]-1,3-benzothiazole Traditional Name: 5-[2-(4-methoxyphenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium-3-yl]-1,3-benzothiazole Formula: C21H18N5OS+ MolecularWeight: 388.46552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2NC(=N[NH+]2C3=CC4=C(C=C3)SC=N4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2NC(=N[NH+]2C3=CC4=C(C=C3)SC=N4)C5=CC=CC=C5

InChI

InChI=1S/C21H17N5OS/c1-27-18-10-7-16(8-11-18)25-23-21(15-5-3-2-4-6-15)24-26(25)17-9-12-20-19(13-17)22-14-28-20/h2-14H,1H3,(H,23,24)/p+1