2-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-3-oxidanidyl-quinazolin-3-ium

Systemtic Name: 2-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-3-oxidanidyl-quinazolin-3-ium Openeye Name: 2-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-3-oxido-quinazolin-3-ium CAS Name: 2-[[(4-chlorophenyl)thio]methyl]-4-methyl-3-oxidoquinazolin-3-ium IUPAC Name: 2-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-3-oxidoquinazolin-3-ium Traditional Name: 2-[[(4-chlorophenyl)thio]methyl]-4-methyl-3-oxido-quinazolin-3-ium Formula: C16H13ClN2OS MolecularWeight: 316.80522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC2=CC=CC=C12)CSC3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

CC1=[N+](C(=NC2=CC=CC=C12)CSC3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C16H13ClN2OS/c1-11-14-4-2-3-5-15(14)18-16(19(11)20)10-21-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3