6-[(4-bromophenyl)methylsulfanyl]-N-(3-ethynylphenyl)quinazolin-4-amine

Systemtic Name: 6-[(4-bromophenyl)methylsulfanyl]-N-(3-ethynylphenyl)quinazolin-4-amine Openeye Name: 6-[(4-bromophenyl)methylsulfanyl]-N-(3-ethynylphenyl)quinazolin-4-amine CAS Name: 6-[(4-bromophenyl)methylthio]-N-(3-ethynylphenyl)-4-quinazolinamine IUPAC Name: 6-[(4-bromophenyl)methylsulfanyl]-N-(3-ethynylphenyl)quinazolin-4-amine Traditional Name: [6-[(4-bromobenzyl)thio]quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C23H16BrN3S MolecularWeight: 446.36224

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H16BrN3S/c1-2-16-4-3-5-19(12-16)27-23-21-13-20(10-11-22(21)25-15-26-23)28-14-17-6-8-18(24)9-7-17/h1,3-13,15H,14H2,(H,25,26,27)