N-[(4-fluorophenyl)methyl]-5-(quinolin-2-ylsulfanylmethyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-5-(quinolin-2-ylsulfanylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-5-(2-quinolylsulfanylmethyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-5-[(2-quinolinylthio)methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-5-(quinolin-2-ylsulfanylmethyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-(4-fluorobenzyl)-5-[(2-quinolylthio)methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C20H15FN4OS2 MolecularWeight: 410.487703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=NN=C(S3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=NN=C(S3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H15FN4OS2/c21-15-8-5-13(6-9-15)11-22-19(26)20-25-24-18(28-20)12-27-17-10-7-14-3-1-2-4-16(14)23-17/h1-10H,11-12H2,(H,22,26)