1-ethyl-2-isothiocyanato-3-propan-2-yl-benzene

Systemtic Name: 1-ethyl-2-isothiocyanato-3-propan-2-yl-benzene Openeye Name: 1-ethyl-3-isopropyl-2-isothiocyanato-benzene CAS Name: 1-ethyl-2-isothiocyanato-3-propan-2-ylbenzene IUPAC Name: 1-ethyl-2-isothiocyanato-3-propan-2-ylbenzene Traditional Name: 1-ethyl-3-isopropyl-2-isothiocyanato-benzene Formula: C12H15NS MolecularWeight: 205.3192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)C)N=C=S

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)C)N=C=S

InChI

InChI=1S/C12H15NS/c1-4-10-6-5-7-11(9(2)3)12(10)13-8-14/h5-7,9H,4H2,1-3H3