6-[2,5-bis(chloranyl)phenyl]sulfanyl-7-chloranyl-N-(3-ethynylphenyl)quinazolin-4-amine

Systemtic Name: 6-[2,5-bis(chloranyl)phenyl]sulfanyl-7-chloranyl-N-(3-ethynylphenyl)quinazolin-4-amine Openeye Name: 7-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-(3-ethynylphenyl)quinazolin-4-amine CAS Name: 7-chloro-6-[(2,5-dichlorophenyl)thio]-N-(3-ethynylphenyl)-4-quinazolinamine IUPAC Name: 7-chloro-6-(2,5-dichlorophenyl)sulfanyl-N-(3-ethynylphenyl)quinazolin-4-amine Traditional Name: [7-chloro-6-[(2,5-dichlorophenyl)thio]quinazolin-4-yl]-(3-ethynylphenyl)amine Formula: C22H12Cl3N3S MolecularWeight: 456.77478

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)SC4=C(C=CC(=C4)Cl)Cl)Cl

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC(=C(C=C32)SC4=C(C=CC(=C4)Cl)Cl)Cl

InChI

InChI=1S/C22H12Cl3N3S/c1-2-13-4-3-5-15(8-13)28-22-16-10-21(18(25)11-19(16)26-12-27-22)29-20-9-14(23)6-7-17(20)24/h1,3-12H,(H,26,27,28)