6,7-dimethoxy-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[(1-phenyltetrazol-5-yl)thio]methyl]-1H-quinazolin-4-one Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=NN3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NN=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C18H16N6O3S/c1-26-14-8-12-13(9-15(14)27-2)19-16(20-17(12)25)10-28-18-21-22-23-24(18)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,20,25)