(1R,3S)-2-azanylidene-3-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-(4-oxidanylidene-1H-quinazolin-2-yl)cyclopentane-1-carbonitrile

Systemtic Name: (1R,3S)-2-azanylidene-3-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-(4-oxidanylidene-1H-quinazolin-2-yl)cyclopentane-1-carbonitrile Openeye Name: (1R,3S)-3-(1,3-benzothiazol-2-yl)-2-imino-5-oxo-3-(4-oxo-1H-quinazolin-2-yl)cyclopentanecarbonitrile CAS Name: (1R,3S)-3-(1,3-benzothiazol-2-yl)-2-imino-5-oxo-3-(4-oxo-1H-quinazolin-2-yl)-1-cyclopentanecarbonitrile IUPAC Name: (1R,3S)-3-(1,3-benzothiazol-2-yl)-2-imino-5-oxo-3-(4-oxo-1H-quinazolin-2-yl)cyclopentane-1-carbonitrile Traditional Name: (1R,3S)-3-(1,3-benzothiazol-2-yl)-2-imino-5-keto-3-(4-keto-1H-quinazolin-2-yl)cyclopentanecarbonitrile Formula: C21H13N5O2S MolecularWeight: 399.42522

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(C(=N)C1(C2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4)C#N

Isomeric SMILES

C1C(=O)[C@H](C(=N)[C@@]1(C2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4)C#N

InChI

InChI=1S/C21H13N5O2S/c22-10-12-15(27)9-21(17(12)23,20-25-14-7-3-4-8-16(14)29-20)19-24-13-6-2-1-5-11(13)18(28)26-19/h1-8,12,23H,9H2,(H,24,26,28)/t12-,21+/m1/s1