3-(3-phenylpropyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-phenylpropyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-phenylpropyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-phenylpropyl)-2-[(1-phenyl-5-tetrazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-phenylpropyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-phenylpropyl)-2-[(1-phenyltetrazol-5-yl)methylthio]quinazolin-4-one Formula: C25H22N6OS MolecularWeight: 454.54678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C25H22N6OS/c32-24-21-15-7-8-16-22(21)26-25(30(24)17-9-12-19-10-3-1-4-11-19)33-18-23-27-28-29-31(23)20-13-5-2-6-14-20/h1-8,10-11,13-16H,9,12,17-18H2