3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-5-[(3-bromophenyl)amino]-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]methyl]-5-[(3-bromophenyl)amino]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-bromoanilino)-3-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-bromoanilino)-3-[[butyl-(1,1-dioxo-3-thiolanyl)amino]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-bromoanilino)-3-[[butyl-(1,1-dioxothiolan-3-yl)amino]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3-bromoanilino)-3-[[butyl-(1,1-diketothiolan-3-yl)amino]methyl]-1,3,4-thiadiazole-2-thione Formula: C17H23BrN4O2S3 MolecularWeight: 491.48912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CN1C(=S)SC(=N1)NC2=CC(=CC=C2)Br)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCN(CN1C(=S)SC(=N1)NC2=CC(=CC=C2)Br)C3CCS(=O)(=O)C3

InChI

InChI=1S/C17H23BrN4O2S3/c1-2-3-8-21(15-7-9-27(23,24)11-15)12-22-17(25)26-16(20-22)19-14-6-4-5-13(18)10-14/h4-6,10,15H,2-3,7-9,11-12H2,1H3,(H,19,20)