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

Systemtic Name: 3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-(4-tert-butylphenyl)propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-tert-butylphenyl)-3-(5-imino-3-oxo-pyrazolidin-1-yl)propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(4-tert-butylphenyl)-3-(5-imino-3-oxo-1-pyrazolidinyl)propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(4-tert-butylphenyl)-3-(5-imino-3-oxopyrazolidin-1-yl)propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(4-tert-butylphenyl)-3-(5-imino-3-keto-pyrazolidin-1-yl)propionitrile Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C(C#N)C2=NC3=CC=CC=C3S2)N4C(=N)CC(=O)N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C(C#N)C2=NC3=CC=CC=C3S2)N4C(=N)CC(=O)N4

InChI

InChI=1S/C23H23N5OS/c1-23(2,3)15-10-8-14(9-11-15)21(28-19(25)12-20(29)27-28)16(13-24)22-26-17-6-4-5-7-18(17)30-22/h4-11,16,21,25H,12H2,1-3H3,(H,27,29)