4-fluoranyl-3-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-fluoro-benzonitrile CAS Name: 4-fluoro-3-[[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-fluorobenzonitrile Traditional Name: 3-[[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-fluoro-benzonitrile Formula: C17H13FN4S2 MolecularWeight: 356.440323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NN=C(S2)SCC3=C(C=CC(=C3)C#N)F

InChI

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