2-(1,3-benzothiazol-2-yl)-2,3-bis(4-methylphenyl)butanebis(thioic S-acid)

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(4-methylphenyl)butanebis(thioic S-acid) Openeye Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(p-tolyl)butanebis(thioic S-acid) CAS Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(4-methylphenyl)butanebis(thioic S-acid) IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(4-methylphenyl)butanebis(thioic S-acid) Traditional Name: 2-(1,3-benzothiazol-2-yl)-2,3-bis(p-tolyl)butanebis(thioic S-acid) Formula: C25H21NO2S3 MolecularWeight: 463.63474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)S)C(C2=CC=C(C=C2)C)(C3=NC4=CC=CC=C4S3)C(=O)S

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)S)C(C2=CC=C(C=C2)C)(C3=NC4=CC=CC=C4S3)C(=O)S

InChI

InChI=1S/C25H21NO2S3/c1-15-7-11-17(12-8-15)21(22(27)29)25(24(28)30,18-13-9-16(2)10-14-18)23-26-19-5-3-4-6-20(19)31-23/h3-14,21H,1-2H3,(H,27,29)(H,28,30)