3-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one CAS Name: 3-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]-2-azepanone IUPAC Name: 3-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]azepan-2-one Formula: C14H15BrN4OS2 MolecularWeight: 399.3291

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(S2)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NN=C(S2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C14H15BrN4OS2/c15-9-4-3-5-10(8-9)17-13-18-19-14(22-13)21-11-6-1-2-7-16-12(11)20/h3-5,8,11H,1-2,6-7H2,(H,16,20)(H,17,18)