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

Systemtic Name: 2-[[5-[(3-bromophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cycloheptanone CAS Name: 2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]thio]cycloheptanone Formula: C15H16BrN3OS2 MolecularWeight: 398.34104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)SC2=NN=C(S2)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCC(C(=O)CC1)SC2=NN=C(S2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C15H16BrN3OS2/c16-10-5-4-6-11(9-10)17-14-18-19-15(22-14)21-13-8-3-1-2-7-12(13)20/h4-6,9,13H,1-3,7-8H2,(H,17,18)