1-cyano-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyloxy)phenyl]guanidine

Systemtic Name: 1-cyano-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyloxy)phenyl]guanidine Openeye Name: 1-cyano-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethoxy)phenyl]guanidine CAS Name: 1-cyano-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethoxy)phenyl]guanidine IUPAC Name: 1-cyano-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethoxy)phenyl]guanidine Traditional Name: 1-cyano-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethoxy)phenyl]guanidine Formula: C16H10F3N5OS2 MolecularWeight: 409.40871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C(NC#N)NC2=CC3=C(C=C2)NC(=S)S3)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1N=C(NC#N)NC2=CC3=C(C=C2)NC(=S)S3)OC(F)(F)F

InChI

InChI=1S/C16H10F3N5OS2/c17-16(18,19)25-11-4-1-9(2-5-11)22-14(21-8-20)23-10-3-6-12-13(7-10)27-15(26)24-12/h1-7H,(H,24,26)(H2,21,22,23)