2-ethyl-1-isothiocyanato-4-methyl-benzene

Systemtic Name: 2-ethyl-1-isothiocyanato-4-methyl-benzene Openeye Name: 2-ethyl-1-isothiocyanato-4-methyl-benzene CAS Name: 2-ethyl-1-isothiocyanato-4-methylbenzene IUPAC Name: 2-ethyl-1-isothiocyanato-4-methylbenzene Traditional Name: 2-ethyl-1-isothiocyanato-4-methyl-benzene Formula: C10H11NS MolecularWeight: 177.26604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NS/c1-3-9-6-8(2)4-5-10(9)11-7-12/h4-6H,3H2,1-2H3