3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol

Systemtic Name: 3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol Openeye Name: 3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol CAS Name: 3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol IUPAC Name: 3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol Traditional Name: 3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol Formula: C19H17ClN3S2+ MolecularWeight: 386.94138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=C(C=C4)Cl)S)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=C(C=C4)Cl)S)C

InChI

InChI=1S/C19H16ClN3S2/c1-11-3-8-15-17(9-11)25-10-16(22-15)18-12(2)21-19(24)23(18)14-6-4-13(20)5-7-14/h3-10,22H,1-2H3,(H,21,24)/p+1