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

Systemtic Name: 3-cyano-1-ethyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[[4-(trifluoromethyloxy)phenyl]methyl]guanidine Openeye Name: 3-cyano-1-ethyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine CAS Name: 3-cyano-1-ethyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine IUPAC Name: 3-cyano-1-ethyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine Traditional Name: 3-cyano-1-ethyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethoxy)benzyl]guanidine Formula: C19H16F3N5OS2 MolecularWeight: 451.48845

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)NC(=S)S2)C(=NCC3=CC=C(C=C3)OC(F)(F)F)NC#N

Isomeric SMILES

CCN(C1=CC2=C(C=C1)NC(=S)S2)C(=NCC3=CC=C(C=C3)OC(F)(F)F)NC#N

InChI

InChI=1S/C19H16F3N5OS2/c1-2-27(13-5-8-15-16(9-13)30-18(29)26-15)17(25-11-23)24-10-12-3-6-14(7-4-12)28-19(20,21)22/h3-9H,2,10H2,1H3,(H,24,25)(H,26,29)