N-(3-ethynylphenyl)-7-phenylsulfanyl-quinazolin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-7-phenylsulfanyl-quinazolin-4-amine Openeye Name: N-(3-ethynylphenyl)-7-phenylsulfanyl-quinazolin-4-amine CAS Name: N-(3-ethynylphenyl)-7-(phenylthio)-4-quinazolinamine IUPAC Name: N-(3-ethynylphenyl)-7-phenylsulfanylquinazolin-4-amine Traditional Name: (3-ethynylphenyl)-[7-(phenylthio)quinazolin-4-yl]amine Formula: C22H15N3S MolecularWeight: 353.4396

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=CC(=C3)SC4=CC=CC=C4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=CC(=C3)SC4=CC=CC=C4

InChI

InChI=1S/C22H15N3S/c1-2-16-7-6-8-17(13-16)25-22-20-12-11-19(14-21(20)23-15-24-22)26-18-9-4-3-5-10-18/h1,3-15H,(H,23,24,25)