2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C19H16ClN5O2S MolecularWeight: 413.88064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NNC(=N3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NNC(=N3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H16ClN5O2S/c1-11-3-2-4-14-17(11)21-16(22-18(14)26)10-28-19-23-15(24-25-19)9-27-13-7-5-12(20)6-8-13/h2-8H,9-10H2,1H3,(H,21,22,26)(H,23,24,25)