7-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[(3-chloro-4-fluoro-phenyl)carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[(3-chloro-4-fluoroanilino)-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[(3-chloro-4-fluorophenyl)carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[(3-chloro-4-fluoro-phenyl)carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C18H12ClFN3O2S- MolecularWeight: 388.823183

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC(=C(C=C3)F)Cl)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC3=CC(=C(C=C3)F)Cl)[O-]

InChI

InChI=1S/C18H13ClFN3O2S/c1-2-7-23-17(25)12-5-3-10(8-15(12)22-18(23)26)16(24)21-11-4-6-14(20)13(19)9-11/h2-6,8-9,25H,1,7H2,(H,21,24)/p-1