[5-[(3-bromophenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-diethyl-azanium

Systemtic Name: [5-[(3-bromophenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-diethyl-azanium Openeye Name: [5-(3-bromoanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-diethyl-ammonium CAS Name: [5-(3-bromoanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-diethylammonium IUPAC Name: [5-(3-bromoanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl-diethylazanium Traditional Name: [5-(3-bromoanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl-diethyl-ammonium Formula: C13H18BrN4S2+ MolecularWeight: 374.34282

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CN1C(=S)SC(=N1)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC[NH+](CC)CN1C(=S)SC(=N1)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H17BrN4S2/c1-3-17(4-2)9-18-13(19)20-12(16-18)15-11-7-5-6-10(14)8-11/h5-8H,3-4,9H2,1-2H3,(H,15,16)/p+1