(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-butanenitrile Openeye Name: (2Z)-4-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]butanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylbutanenitrile Traditional Name: (2Z)-4-[(3-allyl-4-keto-quinazolin-2-yl)thio]-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)butyronitrile Formula: C23H18N4O2S2 MolecularWeight: 446.54462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C23H18N4O2S2/c1-3-12-27-21(29)15-8-4-5-9-17(15)25-23(27)30-14-19(28)16(13-24)22-26(2)18-10-6-7-11-20(18)31-22/h3-11H,1,12,14H2,2H3/b22-16-