3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-methylphenyl)furan-2-yl]propanenitrile

Systemtic Name: 3-(5-azanylidene-3-oxidanylidene-pyrazolidin-1-yl)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-methylphenyl)furan-2-yl]propanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-pyrazolidin-1-yl)-3-[5-(p-tolyl)-2-furyl]propanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxo-1-pyrazolidinyl)-3-[5-(4-methylphenyl)-2-furanyl]propanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-oxopyrazolidin-1-yl)-3-[5-(4-methylphenyl)furan-2-yl]propanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(5-imino-3-keto-pyrazolidin-1-yl)-3-[5-(p-tolyl)-2-furyl]propionitrile Formula: C24H19N5O2S MolecularWeight: 441.50496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(O2)C(C(C#N)C3=NC4=CC=CC=C4S3)N5C(=N)CC(=O)N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(O2)C(C(C#N)C3=NC4=CC=CC=C4S3)N5C(=N)CC(=O)N5

InChI

InChI=1S/C24H19N5O2S/c1-14-6-8-15(9-7-14)18-10-11-19(31-18)23(29-21(26)12-22(30)28-29)16(13-25)24-27-17-4-2-3-5-20(17)32-24/h2-11,16,23,26H,12H2,1H3,(H,28,30)