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

Systemtic Name: 2-[3-oxidanylidene-3-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-oxo-3-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)propyl]-1H-quinazolin-4-one CAS Name: 2-[3-oxo-3-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-oxo-3-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propyl]-1H-quinazolin-4-one Traditional Name: 2-[3-keto-3-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)propyl]-1H-quinazolin-4-one Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=S)N2C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=S)N2C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H15N5O2S/c25-16(24-17(22-23-19(24)27)12-6-2-1-3-7-12)11-10-15-20-14-9-5-4-8-13(14)18(26)21-15/h1-9H,10-11H2,(H,23,27)(H,20,21,26)