5-[[(3-chloranyl-4-phenylsulfanyl-phenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one

Systemtic Name: 5-[[(3-chloranyl-4-phenylsulfanyl-phenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one Openeye Name: 5-[(3-chloro-4-phenylsulfanyl-N-prop-2-ynyl-anilino)methyl]-2-methyl-1H-quinazolin-4-one CAS Name: 5-[[3-chloro-4-(phenylthio)-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 5-[(3-chloro-4-phenylsulfanyl-N-prop-2-ynylanilino)methyl]-2-methyl-1H-quinazolin-4-one Traditional Name: 5-[[3-chloro-4-(phenylthio)-N-propargyl-anilino]methyl]-2-methyl-1H-quinazolin-4-one Formula: C25H20ClN3OS MolecularWeight: 445.9638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(C=CC=C2N1)CN(CC#C)C3=CC(=C(C=C3)SC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=NC(=O)C2=C(C=CC=C2N1)CN(CC#C)C3=CC(=C(C=C3)SC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H20ClN3OS/c1-3-14-29(16-18-8-7-11-22-24(18)25(30)28-17(2)27-22)19-12-13-23(21(26)15-19)31-20-9-5-4-6-10-20/h1,4-13,15H,14,16H2,2H3,(H,27,28,30)