2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-6-chloranyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-6-chloranyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-chloro-quinazolin-4-one CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-6-chloro-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-chloro-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(1-butyltetrazol-5-yl)methylthio]-6-chloro-quinazolin-4-one Formula: C17H19ClN6OS MolecularWeight: 390.89036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C17H19ClN6OS/c1-3-5-9-24-15(20-21-22-24)11-26-17-19-14-7-6-12(18)10-13(14)16(25)23(17)8-4-2/h4,6-7,10H,2-3,5,8-9,11H2,1H3