4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C17H13FN4S2 MolecularWeight: 356.440323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)F

Isomeric SMILES

C1=CC(=CC=C1CNC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C17H13FN4S2/c18-15-7-5-13(6-8-15)10-20-16-21-22-17(24-16)23-11-14-3-1-12(9-19)2-4-14/h1-8H,10-11H2,(H,20,21)