3-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-methyl-quinazolin-4-one Openeye Name: 3-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-methyl-quinazolin-4-one CAS Name: 3-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-methyl-4-quinazolinone IUPAC Name: 3-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-methylquinazolin-4-one Traditional Name: 3-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-methyl-quinazolin-4-one Formula: C17H12ClN5OS MolecularWeight: 369.82808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N3C(=NNC3=S)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1N3C(=NNC3=S)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H12ClN5OS/c1-10-19-14-5-3-2-4-13(14)16(24)22(10)23-15(20-21-17(23)25)11-6-8-12(18)9-7-11/h2-9H,1H3,(H,21,25)