2-(4-phenylphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one

Systemtic Name: 2-(4-phenylphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Openeye Name: 2-(4-phenylphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one CAS Name: 2-(4-phenylphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one IUPAC Name: 2-(4-phenylphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Traditional Name: 2-(4-phenylphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Formula: C21H14N3OS+ MolecularWeight: 356.42036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=N[N+]4=C(S3)NC5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=N[N+]4=C(S3)NC5=CC=CC=C5C4=O

InChI

InChI=1S/C21H13N3OS/c25-20-17-8-4-5-9-18(17)22-21-24(20)23-19(26-21)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H/p+1