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

Systemtic Name: 3-cyano-1-propyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine Openeye Name: 3-cyano-1-propyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine CAS Name: 3-cyano-1-propyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine IUPAC Name: 3-cyano-1-propyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine Traditional Name: 3-cyano-1-propyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)-2-[4-(trifluoromethyl)phenyl]guanidine Formula: C19H16F3N5S2 MolecularWeight: 435.48905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N5S2/c1-2-9-27(14-7-8-15-16(10-14)29-18(28)26-15)17(24-11-23)25-13-5-3-12(4-6-13)19(20,21)22/h3-8,10H,2,9H2,1H3,(H,24,25)(H,26,28)