S-[6-methyl-4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] quinoxaline-6-carbothioate

Systemtic Name: S-[6-methyl-4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] quinoxaline-6-carbothioate Openeye Name: S-[6-methyl-4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] quinoxaline-6-carbothioate CAS Name: 6-quinoxalinecarbothioic acid S-[6-methyl-4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-2-pyrimidin-1-iumyl] ester IUPAC Name: S-[6-methyl-4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylpyrimidin-1-ium-2-yl] quinoxaline-6-carbothioate Traditional Name: quinoxaline-6-carbothioic acid S-[6-methyl-4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] ester Formula: C29H22N5OS2+ MolecularWeight: 520.64788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=CC=CC=C3S2)C)SC(=O)C4=CC5=NC=CN=C5C=C4)C6=CC=CC=C6

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C/2\N(C3=CC=CC=C3S2)C)SC(=O)C4=CC5=NC=CN=C5C=C4)C6=CC=CC=C6

InChI

InChI=1S/C29H22N5OS2/c1-19-16-21(18-27-33(2)25-10-6-7-11-26(25)36-27)32-29(34(19)22-8-4-3-5-9-22)37-28(35)20-12-13-23-24(17-20)31-15-14-30-23/h3-18H,1-2H3/q+1