[4-(1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)-2-oxidanylidene-3H-pyrrol-5-yl]azanium

Systemtic Name: [4-(1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)-2-oxidanylidene-3H-pyrrol-5-yl]azanium Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)-2-oxo-3H-pyrrol-5-yl]ammonium CAS Name: [4-(1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)-2-oxo-3H-pyrrol-5-yl]ammonium IUPAC Name: [4-(1,3-benzothiazol-2-yl)-1-(4-nitrophenyl)-2-oxo-3H-pyrrol-5-yl]azanium Traditional Name: [3-(1,3-benzothiazol-2-yl)-5-keto-1-(4-nitrophenyl)-2-pyrrolin-2-yl]ammonium Formula: C17H13N4O3S+ MolecularWeight: 353.37512

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH3+])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=C(N(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH3+])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H12N4O3S/c18-16-12(17-19-13-3-1-2-4-14(13)25-17)9-15(22)20(16)10-5-7-11(8-6-10)21(23)24/h1-8H,9,18H2/p+1