3,6-diisothiocyanatocyclohexa-1,4-diene

Systemtic Name: 3,6-diisothiocyanatocyclohexa-1,4-diene Openeye Name: 3,6-diisothiocyanatocyclohexa-1,4-diene CAS Name: 3,6-diisothiocyanatocyclohexa-1,4-diene IUPAC Name: 3,6-diisothiocyanatocyclohexa-1,4-diene Traditional Name: 3,6-diisothiocyanatocyclohexa-1,4-diene Formula: C8H6N2S2 MolecularWeight: 194.27664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC1N=C=S)N=C=S

Isomeric SMILES

C1=CC(C=CC1N=C=S)N=C=S

InChI

InChI=1S/C8H6N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4,7-8H