2-(1,3-benzothiazol-2-yl)-6-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-4-(2-phenoxyphenyl)imino-pyridazin-2-ium-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-6-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-4-(2-phenoxyphenyl)imino-pyridazin-2-ium-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-6-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-4-(2-phenoxyphenyl)imino-pyridazin-2-ium-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-6-[[(4-chlorophenyl)thio]methyl]-5-methyl-4-(2-phenoxyphenyl)imino-3-pyridazin-2-iumone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-6-[(4-chlorophenyl)sulfanylmethyl]-5-methyl-4-(2-phenoxyphenyl)iminopyridazin-2-ium-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-6-[[(4-chlorophenyl)thio]methyl]-5-methyl-4-(2-phenoxyphenyl)imino-pyridazin-2-ium-3-one Formula: C31H22ClN4O2S2+ MolecularWeight: 582.11498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=[N+](C(=O)C1=NC2=CC=CC=C2OC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)CSC6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=C(N=[N+](C(=O)C1=NC2=CC=CC=C2OC3=CC=CC=C3)C4=NC5=CC=CC=C5S4)CSC6=CC=C(C=C6)Cl

InChI

InChI=1S/C31H22ClN4O2S2/c1-20-26(19-39-23-17-15-21(32)16-18-23)35-36(31-34-25-12-6-8-14-28(25)40-31)30(37)29(20)33-24-11-5-7-13-27(24)38-22-9-3-2-4-10-22/h2-18H,19H2,1H3/q+1