(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-butanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-butanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C22H18N4O3S2 MolecularWeight: 450.53332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C(=C3NC4=CC=CC=C4S3)C#N)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N)CCCO

InChI

InChI=1S/C22H18N4O3S2/c23-12-15(20-24-17-8-3-4-9-19(17)31-20)18(28)13-30-22-25-16-7-2-1-6-14(16)21(29)26(22)10-5-11-27/h1-4,6-9,24,27H,5,10-11,13H2/b20-15+