3-[3-[(4-bromophenyl)methyl-methyl-amino]-3-oxidanylidene-propyl]-7-chloranyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[3-[(4-bromophenyl)methyl-methyl-amino]-3-oxidanylidene-propyl]-7-chloranyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[3-[(4-bromophenyl)methyl-methyl-amino]-3-oxo-propyl]-7-chloro-2-thioxo-quinazolin-4-olate CAS Name: 3-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]-7-chloro-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]-7-chloro-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[3-[(4-bromobenzyl)-methyl-amino]-3-keto-propyl]-7-chloro-2-thioxo-quinazolin-4-olate Formula: C19H16BrClN3O2S- MolecularWeight: 465.77124

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)C(=O)CCN2C(=C3C=CC(=CC3=NC2=S)Cl)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)C(=O)CCN2C(=C3C=CC(=CC3=NC2=S)Cl)[O-]

InChI

InChI=1S/C19H17BrClN3O2S/c1-23(11-12-2-4-13(20)5-3-12)17(25)8-9-24-18(26)15-7-6-14(21)10-16(15)22-19(24)27/h2-7,10,26H,8-9,11H2,1H3/p-1