2-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium

Systemtic Name: 2-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium Openeye Name: 2-benzylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium CAS Name: 2-(phenylmethylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium IUPAC Name: 2-benzylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium Traditional Name: 2-(benzylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium Formula: C12H10N3S2+ MolecularWeight: 260.3579

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=N[N+]3=CC=CN=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=N[N+]3=CC=CN=C3S2

InChI

InChI=1S/C12H10N3S2/c1-2-5-10(6-3-1)9-16-12-14-15-8-4-7-13-11(15)17-12/h1-8H,9H2/q+1