N-butyl-5-[4-(phenylsulfonyl)phenyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-butyl-5-[4-(phenylsulfonyl)phenyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[4-(benzenesulfonyl)phenyl]-N-butyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[4-(benzenesulfonyl)phenyl]-N-butyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[4-(benzenesulfonyl)phenyl]-N-butyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-(4-besylphenyl)-1,3,4-thiadiazol-2-yl]-butyl-amine Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NN=C(S1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S2/c1-2-3-13-19-18-21-20-17(24-18)14-9-11-16(12-10-14)25(22,23)15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3,(H,19,21)