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

Systemtic Name: 6-chloranyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(4-phenyl-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)N2C=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl

InChI

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