2-(chloromethyl)-4-(4-methylthiophen-2-yl)-3-oxidanidyl-quinazolin-3-ium

Systemtic Name: 2-(chloromethyl)-4-(4-methylthiophen-2-yl)-3-oxidanidyl-quinazolin-3-ium Openeye Name: 2-(chloromethyl)-4-(4-methyl-2-thienyl)-3-oxido-quinazolin-3-ium CAS Name: 2-(chloromethyl)-4-(4-methyl-2-thiophenyl)-3-oxidoquinazolin-3-ium IUPAC Name: 2-(chloromethyl)-4-(4-methylthiophen-2-yl)-3-oxidoquinazolin-3-ium Traditional Name: 2-(chloromethyl)-4-(4-methyl-2-thienyl)-3-oxido-quinazolin-3-ium Formula: C14H11ClN2OS MolecularWeight: 290.76794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=[N+](C(=NC3=CC=CC=C32)CCl)[O-]

Isomeric SMILES

CC1=CSC(=C1)C2=[N+](C(=NC3=CC=CC=C32)CCl)[O-]

InChI

InChI=1S/C14H11ClN2OS/c1-9-6-12(19-8-9)14-10-4-2-3-5-11(10)16-13(7-15)17(14)18/h2-6,8H,7H2,1H3