2,4-diethyl-3-isothiocyanato-1,5-dimethyl-benzene

Systemtic Name: 2,4-diethyl-3-isothiocyanato-1,5-dimethyl-benzene Openeye Name: 2,4-diethyl-3-isothiocyanato-1,5-dimethyl-benzene CAS Name: 2,4-diethyl-3-isothiocyanato-1,5-dimethylbenzene IUPAC Name: 2,4-diethyl-3-isothiocyanato-1,5-dimethylbenzene Traditional Name: 2,4-diethyl-3-isothiocyanato-1,5-dimethyl-benzene Formula: C13H17NS MolecularWeight: 219.34578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1C)C)CC)N=C=S

Isomeric SMILES

CCC1=C(C(=C(C=C1C)C)CC)N=C=S

InChI

InChI=1S/C13H17NS/c1-5-11-9(3)7-10(4)12(6-2)13(11)14-8-15/h7H,5-6H2,1-4H3