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

Systemtic Name: 4-[(E)-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]iminomethyl]benzenecarbonitrile Openeye Name: 4-[(E)-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]iminomethyl]benzonitrile CAS Name: 4-[(E)-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]iminomethyl]benzonitrile IUPAC Name: 4-[(E)-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]iminomethyl]benzonitrile Traditional Name: 4-[(E)-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]iminomethyl]benzonitrile Formula: C19H13N5OS MolecularWeight: 359.40442

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1N=CC2=CC=C(C=C2)C#N)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=O)C(=C(N1/N=C/C2=CC=C(C=C2)C#N)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H13N5OS/c20-9-12-5-7-13(8-6-12)10-22-24-11-15(25)17(18(24)21)19-23-14-3-1-2-4-16(14)26-19/h1-8,10H,11,21H2/b22-10+