1-chloranyl-2,4-diethyl-3-isothiocyanato-benzene

Systemtic Name: 1-chloranyl-2,4-diethyl-3-isothiocyanato-benzene Openeye Name: 1-chloro-2,4-diethyl-3-isothiocyanato-benzene CAS Name: 1-chloro-2,4-diethyl-3-isothiocyanatobenzene IUPAC Name: 1-chloro-2,4-diethyl-3-isothiocyanatobenzene Traditional Name: 1-chloro-2,4-diethyl-3-isothiocyanato-benzene Formula: C11H12ClNS MolecularWeight: 225.73768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNS/c1-3-8-5-6-10(12)9(4-2)11(8)13-7-14/h5-6H,3-4H2,1-2H3