(2E)-2-[[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]imino]ethanal

Systemtic Name: (2E)-2-[[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]imino]ethanal Openeye Name: (2E)-2-[[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]imino]acetaldehyde CAS Name: (2E)-2-[[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]imino]acetaldehyde IUPAC Name: (2E)-2-[[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]imino]acetaldehyde Traditional Name: (2E)-2-[[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]imino]acetaldehyde Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1N=CC=O)N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C(=O)C(=C(N1/N=C/C=O)N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H10N4O2S/c14-12-11(9(19)7-17(12)15-5-6-18)13-16-8-3-1-2-4-10(8)20-13/h1-6H,7,14H2/b15-5+