7-chloranyl-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C21H19ClN6O2S MolecularWeight: 454.93256

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C21H19ClN6O2S/c22-14-6-7-16-17(12-14)23-18(24-19(16)29)13-31-21-26-25-20(27-8-10-30-11-9-27)28(21)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,24,29)