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

Systemtic Name: 2-[(1-butyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(1-butyl-5-tetrazolyl)methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(1-butyltetrazol-5-yl)methylthio]quinazolin-4-one Formula: C17H20N6OS MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CCCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C17H20N6OS/c1-3-5-11-23-15(19-20-21-23)12-25-17-18-14-9-7-6-8-13(14)16(24)22(17)10-4-2/h4,6-9H,2-3,5,10-12H2,1H3