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

Systemtic Name: 6-chloranyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C18H14ClN5OS MolecularWeight: 383.85466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C18H14ClN5OS/c1-24-16(11-5-3-2-4-6-11)22-23-18(24)26-10-15-20-14-8-7-12(19)9-13(14)17(25)21-15/h2-9H,10H2,1H3,(H,20,21,25)