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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC3=NC(=O)C4=CC=CC=C4N3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=NN2)SCC3=NC(=O)C4=CC=CC=C4N3)Cl

InChI

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