1-[bis(3,5-dimethylphenyl)-isothiocyanato-methyl]-3,5-dimethyl-benzene

Systemtic Name: 1-[bis(3,5-dimethylphenyl)-isothiocyanato-methyl]-3,5-dimethyl-benzene Openeye Name: 1-[bis(3,5-dimethylphenyl)-isothiocyanato-methyl]-3,5-dimethyl-benzene CAS Name: 1-[bis(3,5-dimethylphenyl)-isothiocyanatomethyl]-3,5-dimethylbenzene IUPAC Name: 1-[bis(3,5-dimethylphenyl)-isothiocyanatomethyl]-3,5-dimethylbenzene Traditional Name: 1-[bis(3,5-dimethylphenyl)-isothiocyanato-methyl]-3,5-dimethyl-benzene Formula: C26H27NS MolecularWeight: 385.56428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=CC(=C2)C)C)(C3=CC(=CC(=C3)C)C)N=C=S)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=CC(=C2)C)C)(C3=CC(=CC(=C3)C)C)N=C=S)C

InChI

InChI=1S/C26H27NS/c1-17-7-18(2)11-23(10-17)26(27-16-28,24-12-19(3)8-20(4)13-24)25-14-21(5)9-22(6)15-25/h7-15H,1-6H3