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

Systemtic Name: 2-methyl-5-[[[4-(2-methylphenyl)sulfanylphenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-methyl-5-[[4-(o-tolylsulfanyl)-N-prop-2-ynyl-anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-methyl-5-[[4-[(2-methylphenyl)thio]-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-methyl-5-[[4-(2-methylphenyl)sulfanyl-N-prop-2-ynylanilino]methyl]-1H-quinazolin-4-one Traditional Name: 2-methyl-5-[[4-(o-tolylthio)-N-propargyl-anilino]methyl]-1H-quinazolin-4-one Formula: C26H23N3OS MolecularWeight: 425.54532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=CC=C(C=C2)N(CC#C)CC3=C4C(=CC=C3)NC(=NC4=O)C

Isomeric SMILES

CC1=CC=CC=C1SC2=CC=C(C=C2)N(CC#C)CC3=C4C(=CC=C3)NC(=NC4=O)C

InChI

InChI=1S/C26H23N3OS/c1-4-16-29(17-20-9-7-10-23-25(20)26(30)28-19(3)27-23)21-12-14-22(15-13-21)31-24-11-6-5-8-18(24)2/h1,5-15H,16-17H2,2-3H3,(H,27,28,30)