3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)propanenitrile

Systemtic Name: 3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-3-(5-imino-3-oxo-pyrazolidin-1-yl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-3-(5-imino-3-oxo-1-pyrazolidinyl)propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-3-(5-imino-3-oxopyrazolidin-1-yl)propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-3-(5-imino-3-keto-pyrazolidin-1-yl)propionitrile Formula: C19H14ClN5OS MolecularWeight: 395.86536

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=N)N(NC1=O)C(C2=CC=C(C=C2)Cl)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=N)N(NC1=O)C(C2=CC=C(C=C2)Cl)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H14ClN5OS/c20-12-7-5-11(6-8-12)18(25-16(22)9-17(26)24-25)13(10-21)19-23-14-3-1-2-4-15(14)27-19/h1-8,13,18,22H,9H2,(H,24,26)