7-chloranyl-3-(3-methylphenyl)-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methylphenyl)-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(m-tolyl)-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methylphenyl)-2-[(1-propyl-5-tetrazolyl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylphenyl)-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(m-tolyl)-2-[(1-propyltetrazol-5-yl)methylthio]quinazolin-4-one Formula: C20H19ClN6OS MolecularWeight: 426.92246

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=CC(=C4)C

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=CC(=C4)C

InChI

InChI=1S/C20H19ClN6OS/c1-3-9-26-18(23-24-25-26)12-29-20-22-17-11-14(21)7-8-16(17)19(28)27(20)15-6-4-5-13(2)10-15/h4-8,10-11H,3,9,12H2,1-2H3