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

Systemtic Name: 3-cyano-1-methyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine Openeye Name: 3-cyano-1-methyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine CAS Name: 3-cyano-1-methyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine IUPAC Name: 3-cyano-1-methyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine Traditional Name: 3-cyano-1-methyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine Formula: C17H12F3N5S2 MolecularWeight: 407.43589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N5S2/c1-25(12-6-7-13-14(8-12)27-16(26)24-13)15(22-9-21)23-11-4-2-10(3-5-11)17(18,19)20/h2-8H,1H3,(H,22,23)(H,24,26)