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

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-3-(2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-(2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[(1-butyltetrazol-5-yl)methylthio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C)OC

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC(=C4)C)OC

InChI

InChI=1S/C22H24N6O2S/c1-4-5-12-27-20(24-25-26-27)14-31-22-23-17-9-7-6-8-16(17)21(29)28(22)18-13-15(2)10-11-19(18)30-3/h6-11,13H,4-5,12,14H2,1-3H3