4-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-3-keto-butyronitrile Formula: C19H15ClN4O3S MolecularWeight: 414.8654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C19H15ClN4O3S/c1-11(22)15(8-21)17(25)10-28-19-23-16-7-12(20)4-5-14(16)18(26)24(19)9-13-3-2-6-27-13/h2-7,15,22H,9-10H2,1H3