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

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-3-(2,5-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-(2,5-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-3-(2,5-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-(2,5-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(1-butyltetrazol-5-yl)methylthio]-3-(2,5-dimethylphenyl)quinazolin-4-one Formula: C22H24N6OS MolecularWeight: 420.53056

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6OS/c1-4-5-12-27-20(24-25-26-27)14-30-22-23-18-9-7-6-8-17(18)21(29)28(22)19-13-15(2)10-11-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3