2-[(4-isothiocyanato-3,5-dimethyl-phenyl)methyl]-1,3-dimethyl-5-propyl-benzene

Systemtic Name: 2-[(4-isothiocyanato-3,5-dimethyl-phenyl)methyl]-1,3-dimethyl-5-propyl-benzene Openeye Name: 2-[(4-isothiocyanato-3,5-dimethyl-phenyl)methyl]-1,3-dimethyl-5-propyl-benzene CAS Name: 2-[(4-isothiocyanato-3,5-dimethylphenyl)methyl]-1,3-dimethyl-5-propylbenzene IUPAC Name: 2-[(4-isothiocyanato-3,5-dimethylphenyl)methyl]-1,3-dimethyl-5-propylbenzene Traditional Name: 2-(4-isothiocyanato-3,5-dimethyl-benzyl)-1,3-dimethyl-5-propyl-benzene Formula: C21H25NS MolecularWeight: 323.4949

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1)C)CC2=CC(=C(C(=C2)C)N=C=S)C)C

Isomeric SMILES

CCCC1=CC(=C(C(=C1)C)CC2=CC(=C(C(=C2)C)N=C=S)C)C

InChI

InChI=1S/C21H25NS/c1-6-7-18-8-14(2)20(15(3)9-18)12-19-10-16(4)21(22-13-23)17(5)11-19/h8-11H,6-7,12H2,1-5H3