1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; thiocyanic acid

Systemtic Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; thiocyanic acid Openeye Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; thiocyanic acid CAS Name: thiocyanic acid; thiocyanic acid (1,3-benzothiazol-2-ylthio)methyl ester IUPAC Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; thiocyanic acid Traditional Name: thiocyanic acid; thiocyanic acid (1,3-benzothiazol-2-ylthio)methyl ester Formula: C11H8N4S5 MolecularWeight: 356.53302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCSC#N.C(#N)S.C(#N)S

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCSC#N.C(#N)S.C(#N)S

InChI

InChI=1S/C9H6N2S3.2CHNS/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9;2*2-1-3/h1-4H,6H2;2*3H