1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; 2-(2-hydroxyethyloxy)ethanol

Systemtic Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; 2-(2-hydroxyethyloxy)ethanol Openeye Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; 2-(2-hydroxyethoxy)ethanol CAS Name: 2-(2-hydroxyethoxy)ethanol; thiocyanic acid (1,3-benzothiazol-2-ylthio)methyl ester IUPAC Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; 2-(2-hydroxyethoxy)ethanol Traditional Name: 2-(2-hydroxyethoxy)ethanol; thiocyanic acid (1,3-benzothiazol-2-ylthio)methyl ester Formula: C22H22N4O3S6 MolecularWeight: 582.82508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H6N2S3.C4H10O3/c2*10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9;5-1-3-7-4-2-6/h2*1-4H,6H2;5-6H,1-4H2