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

Systemtic Name: 3-cyano-1-ethyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine Openeye Name: 3-cyano-1-ethyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine CAS Name: 3-cyano-1-ethyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine IUPAC Name: 3-cyano-1-ethyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine Traditional Name: 3-cyano-1-ethyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine Formula: C18H14F3N5S2 MolecularWeight: 421.46247

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC2=C(C=C1)NC(=S)S2)C(=NC3=CC=C(C=C3)C(F)(F)F)NC#N

Isomeric SMILES

CCN(C1=CC2=C(C=C1)NC(=S)S2)C(=NC3=CC=C(C=C3)C(F)(F)F)NC#N

InChI

InChI=1S/C18H14F3N5S2/c1-2-26(13-7-8-14-15(9-13)28-17(27)25-14)16(23-10-22)24-12-5-3-11(4-6-12)18(19,20)21/h3-9H,2H2,1H3,(H,23,24)(H,25,27)