5-[[[4-(2-chlorophenyl)sulfanylphenyl]-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one

Systemtic Name: 5-[[[4-(2-chlorophenyl)sulfanylphenyl]-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one Openeye Name: 5-[[4-(2-chlorophenyl)sulfanyl-N-prop-2-ynyl-anilino]methyl]-2-methyl-1H-quinazolin-4-one CAS Name: 5-[[4-[(2-chlorophenyl)thio]-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 5-[[4-(2-chlorophenyl)sulfanyl-N-prop-2-ynylanilino]methyl]-2-methyl-1H-quinazolin-4-one Traditional Name: 5-[[4-[(2-chlorophenyl)thio]-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=C4Cl

Isomeric SMILES

CC1=NC(=O)C2=C(C=CC=C2N1)CN(CC#C)C3=CC=C(C=C3)SC4=CC=CC=C4Cl

InChI

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