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

Systemtic Name: 6-chloranyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C17H12ClN5OS MolecularWeight: 369.82808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN5OS/c18-11-6-7-13-12(8-11)16(24)20-14(19-13)9-25-17-21-15(22-23-17)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20,24)(H,21,22,23)