5-chloranyl-2-isothiocyanato-4-methoxy-benzenecarbonitrile

Systemtic Name: 5-chloranyl-2-isothiocyanato-4-methoxy-benzenecarbonitrile Openeye Name: 5-chloro-2-isothiocyanato-4-methoxy-benzonitrile CAS Name: 5-chloro-2-isothiocyanato-4-methoxybenzonitrile IUPAC Name: 5-chloro-2-isothiocyanato-4-methoxybenzonitrile Traditional Name: 5-chloro-2-isothiocyanato-4-methoxy-benzonitrile Formula: C9H5ClN2OS MolecularWeight: 224.6668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N=C=S)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)N=C=S)C#N)Cl

InChI

InChI=1S/C9H5ClN2OS/c1-13-9-3-8(12-5-14)6(4-11)2-7(9)10/h2-3H,1H3