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

Systemtic Name: 2-methyl-3-[4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]quinazolin-4-one Openeye Name: 2-methyl-3-[4-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]quinazolin-4-one CAS Name: 2-methyl-3-[4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[4-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]quinazolin-4-one Traditional Name: 2-methyl-3-[4-(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]quinazolin-4-one Formula: C23H17N5OS MolecularWeight: 411.47898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C4=NNC(=S)N4C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C4=NNC(=S)N4C5=CC=CC=C5

InChI

InChI=1S/C23H17N5OS/c1-15-24-20-10-6-5-9-19(20)22(29)27(15)18-13-11-16(12-14-18)21-25-26-23(30)28(21)17-7-3-2-4-8-17/h2-14H,1H3,(H,26,30)