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

Systemtic Name: 2-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzonitrile CAS Name: 2-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzonitrile IUPAC Name: 2-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]benzonitrile Traditional Name: 2-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]benzonitrile Formula: C18H12N4OS MolecularWeight: 332.37908

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=CC=C2C#N)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=CC=C2C#N)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H12N4OS/c19-9-11-5-1-3-7-13(11)22-10-14(23)16(17(22)20)18-21-12-6-2-4-8-15(12)24-18/h1-8H,10,20H2