S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] 2-methylbenzotriazole-5-carbothioate

Systemtic Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] 2-methylbenzotriazole-5-carbothioate Openeye Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] 2-methylbenzotriazole-5-carbothioate CAS Name: 2-methyl-5-benzotriazolecarbothioic acid S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-2-pyrimidin-1-iumyl] ester IUPAC Name: S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenylpyrimidin-1-ium-2-yl] 2-methylbenzotriazole-5-carbothioate Traditional Name: 2-methylbenzotriazole-5-carbothioic acid S-[6-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-phenyl-pyrimidin-1-ium-2-yl] ester Formula: C28H23N6OS2+ MolecularWeight: 523.65182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23N6OS2/c1-18-15-20(17-26-32(2)24-11-7-8-12-25(24)36-26)29-28(34(18)21-9-5-4-6-10-21)37-27(35)19-13-14-22-23(16-19)31-33(3)30-22/h4-17H,1-3H3/q+1