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

Systemtic Name: 6-chloranyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C19H16ClN5OS MolecularWeight: 397.88124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C19H16ClN5OS/c1-2-11-3-5-12(6-4-11)17-23-19(25-24-17)27-10-16-21-15-8-7-13(20)9-14(15)18(26)22-16/h3-9H,2,10H2,1H3,(H,21,22,26)(H,23,24,25)