furan-2-ylmethyl-[[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-furylmethyl)-[[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]ammonium CAS Name: [5-[anilino(oxo)methyl]-1,3,4-thiadiazol-2-yl]methyl-(2-furanylmethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-(furan-2-ylmethyl)-[[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]azanium Traditional Name: benzyl-(2-furfuryl)-[[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl]ammonium Formula: C22H21N4O2S+ MolecularWeight: 405.49274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC2=CC=CO2)CC3=NN=C(S3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC2=CC=CO2)CC3=NN=C(S3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c27-21(23-18-10-5-2-6-11-18)22-25-24-20(29-22)16-26(15-19-12-7-13-28-19)14-17-8-3-1-4-9-17/h1-13H,14-16H2,(H,23,27)/p+1