4-isocyanato-2-isothiocyanato-1-methyl-benzene

Systemtic Name: 4-isocyanato-2-isothiocyanato-1-methyl-benzene Openeye Name: 4-isocyanato-2-isothiocyanato-1-methyl-benzene CAS Name: 4-isocyanato-2-isothiocyanato-1-methylbenzene IUPAC Name: 4-isocyanato-2-isothiocyanato-1-methylbenzene Traditional Name: 4-isocyanato-2-isothiocyanato-1-methyl-benzene Formula: C9H6N2OS MolecularWeight: 190.22174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C=O)N=C=S

Isomeric SMILES

CC1=C(C=C(C=C1)N=C=O)N=C=S

InChI

InChI=1S/C9H6N2OS/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3