2-[(4-chlorophenyl)amino]-3-isothiocyanato-quinazolin-4-one

Systemtic Name: 2-[(4-chlorophenyl)amino]-3-isothiocyanato-quinazolin-4-one Openeye Name: 2-(4-chloroanilino)-3-isothiocyanato-quinazolin-4-one CAS Name: 2-(4-chloroanilino)-3-isothiocyanato-4-quinazolinone IUPAC Name: 2-(4-chloroanilino)-3-isothiocyanatoquinazolin-4-one Traditional Name: 2-(4-chloroanilino)-3-isothiocyanato-quinazolin-4-one Formula: C15H9ClN4OS MolecularWeight: 328.77616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)NC3=CC=C(C=C3)Cl)N=C=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)NC3=CC=C(C=C3)Cl)N=C=S

InChI

InChI=1S/C15H9ClN4OS/c16-10-5-7-11(8-6-10)18-15-19-13-4-2-1-3-12(13)14(21)20(15)17-9-22/h1-8H,(H,18,19)