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

Systemtic Name: 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzonitrile Formula: C16H10FN5O2S2 MolecularWeight: 387.411303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)F

Isomeric SMILES

C1=CC(=CC=C1CNC2=NN=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)F

InChI

InChI=1S/C16H10FN5O2S2/c17-12-3-1-10(2-4-12)9-19-15-20-21-16(26-15)25-14-6-5-13(22(23)24)7-11(14)8-18/h1-7H,9H2,(H,19,20)