1-iodanyl-2-isothiocyanato-4,5-dimethyl-benzene

Systemtic Name: 1-iodanyl-2-isothiocyanato-4,5-dimethyl-benzene Openeye Name: 1-iodo-2-isothiocyanato-4,5-dimethyl-benzene CAS Name: 1-iodo-2-isothiocyanato-4,5-dimethylbenzene IUPAC Name: 1-iodo-2-isothiocyanato-4,5-dimethylbenzene Traditional Name: 1-iodo-2-isothiocyanato-4,5-dimethyl-benzene Formula: C9H8INS MolecularWeight: 289.13599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)I)N=C=S

Isomeric SMILES

CC1=CC(=C(C=C1C)I)N=C=S

InChI

InChI=1S/C9H8INS/c1-6-3-8(10)9(11-5-12)4-7(6)2/h3-4H,1-2H3