1-ethyl-2-isothiocyanato-3,5-dimethyl-benzene

Systemtic Name: 1-ethyl-2-isothiocyanato-3,5-dimethyl-benzene Openeye Name: 1-ethyl-2-isothiocyanato-3,5-dimethyl-benzene CAS Name: 1-ethyl-2-isothiocyanato-3,5-dimethylbenzene IUPAC Name: 1-ethyl-2-isothiocyanato-3,5-dimethylbenzene Traditional Name: 1-ethyl-2-isothiocyanato-3,5-dimethyl-benzene Formula: C11H13NS MolecularWeight: 191.29262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N=C=S)C)C

Isomeric SMILES

CCC1=CC(=CC(=C1N=C=S)C)C

InChI

InChI=1S/C11H13NS/c1-4-10-6-8(2)5-9(3)11(10)12-7-13/h5-6H,4H2,1-3H3