2-isothiocyanatohexa-3,4-dien-3-yl thiocyanate

Systemtic Name: 2-isothiocyanatohexa-3,4-dien-3-yl thiocyanate Openeye Name: 1-(1-isothiocyanatoethyl)buta-1,2-dienyl thiocyanate CAS Name: thiocyanic acid 2-isothiocyanatohexa-3,4-dien-3-yl ester IUPAC Name: 2-isothiocyanatohexa-3,4-dien-3-yl thiocyanate Traditional Name: thiocyanic acid 1-(1-isothiocyanatoethyl)buta-1,2-dienyl ester Formula: C8H8N2S2 MolecularWeight: 196.29252

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Descriptors Computed from Structure

Canonical SMILES:

CC=C=C(C(C)N=C=S)SC#N

Isomeric SMILES

CC=C=C(C(C)N=C=S)SC#N

InChI

InChI=1S/C8H8N2S2/c1-3-4-8(12-5-9)7(2)10-6-11/h3,7H,1-2H3