methyl N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]carbamate

Systemtic Name: methyl N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]carbamate Openeye Name: methyl N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]carbamate CAS Name: N-[5-[[(3-bromophenyl)methylthio]methyl]-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]carbamate Traditional Name: N-[5-[[(3-bromobenzyl)thio]methyl]-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester Formula: C12H12BrN3O2S2 MolecularWeight: 374.27658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NN=C(S1)CSCC2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)NC1=NN=C(S1)CSCC2=CC(=CC=C2)Br

InChI

InChI=1S/C12H12BrN3O2S2/c1-18-12(17)14-11-16-15-10(20-11)7-19-6-8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3,(H,14,16,17)