7-(1,3-benzothiazol-2-yl)-2-oxidanylidene-3-aza-1-azoniabicyclo[4.1.0]hepta-1(6),4-diene-7-carbonitrile

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-2-oxidanylidene-3-aza-1-azoniabicyclo[4.1.0]hepta-1(6),4-diene-7-carbonitrile Openeye Name: 7-(1,3-benzothiazol-2-yl)-2-oxo-3-aza-1-azoniabicyclo[4.1.0]hepta-1(6),4-diene-7-carbonitrile CAS Name: 7-(1,3-benzothiazol-2-yl)-2-oxo-3-aza-1-azoniabicyclo[4.1.0]hepta-1(6),4-diene-7-carbonitrile IUPAC Name: 7-(1,3-benzothiazol-2-yl)-2-oxo-3-aza-1-azoniabicyclo[4.1.0]hepta-1(6),4-diene-7-carbonitrile Traditional Name: 7-(1,3-benzothiazol-2-yl)-2-keto-3-aza-1-azoniabicyclo[4.1.0]hepta-1(6),4-diene-7-carbonitrile Formula: C13H7N4OS+ MolecularWeight: 267.28588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3(C4=[N+]3C(=O)NC=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3(C4=[N+]3C(=O)NC=C4)C#N

InChI

InChI=1S/C13H6N4OS/c14-7-13(10-5-6-15-12(18)17(10)13)11-16-8-3-1-2-4-9(8)19-11/h1-6H/p+1