[6-ethyl-2-[(5-nitrofuran-2-yl)carbonylamino]-1,3-benzothiazol-4-yl] thiocyanate

Systemtic Name: [6-ethyl-2-[(5-nitrofuran-2-yl)carbonylamino]-1,3-benzothiazol-4-yl] thiocyanate Openeye Name: [6-ethyl-2-[(5-nitrofuran-2-carbonyl)amino]-1,3-benzothiazol-4-yl] thiocyanate CAS Name: thiocyanic acid [6-ethyl-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-1,3-benzothiazol-4-yl] ester IUPAC Name: [6-ethyl-2-[(5-nitrofuran-2-carbonyl)amino]-1,3-benzothiazol-4-yl] thiocyanate Traditional Name: thiocyanic acid [6-ethyl-2-[(5-nitro-2-furoyl)amino]-1,3-benzothiazol-4-yl] ester Formula: C15H10N4O4S2 MolecularWeight: 374.3943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1)SC#N)N=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C(=C1)SC#N)N=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O4S2/c1-2-8-5-10(24-7-16)13-11(6-8)25-15(17-13)18-14(20)9-3-4-12(23-9)19(21)22/h3-6H,2H2,1H3,(H,17,18,20)