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

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(1-butyltetrazol-5-yl)methylthio]quinazolin-4-one Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C21H22N6OS/c1-2-3-13-27-19(23-24-25-27)15-29-21-22-18-12-8-7-11-17(18)20(28)26(21)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3