[3-(benzotriazol-1-yl)-2-oxidanylidene-propyl] thiocyanate

Systemtic Name: [3-(benzotriazol-1-yl)-2-oxidanylidene-propyl] thiocyanate Openeye Name: [3-(benzotriazol-1-yl)-2-oxo-propyl] thiocyanate CAS Name: thiocyanic acid [3-(1-benzotriazolyl)-2-oxopropyl] ester IUPAC Name: [3-(benzotriazol-1-yl)-2-oxopropyl] thiocyanate Traditional Name: thiocyanic acid [3-(benzotriazol-1-yl)-2-keto-propyl] ester Formula: C10H8N4OS MolecularWeight: 232.26172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(=O)CSC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC(=O)CSC#N

InChI

InChI=1S/C10H8N4OS/c11-7-16-6-8(15)5-14-10-4-2-1-3-9(10)12-13-14/h1-4H,5-6H2