2-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[3-[(1-methyl-5-tetrazolyl)thio]propylthio]-1H-quinazolin-4-one IUPAC Name: 2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[3-[(1-methyltetrazol-5-yl)thio]propylthio]-1H-quinazolin-4-one Formula: C13H14N6OS2 MolecularWeight: 334.41986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CN1C(=NN=N1)SCCCSC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C13H14N6OS2/c1-19-13(16-17-18-19)22-8-4-7-21-12-14-10-6-3-2-5-9(10)11(20)15-12/h2-3,5-6H,4,7-8H2,1H3,(H,14,15,20)