4-(2-bromophenyl)-N-methyl-5-oxidanylidene-N-(thian-4-yl)-1,2,3,4-tetrazole-1-carboxamide

Systemtic Name: 4-(2-bromophenyl)-N-methyl-5-oxidanylidene-N-(thian-4-yl)-1,2,3,4-tetrazole-1-carboxamide Openeye Name: 4-(2-bromophenyl)-N-methyl-5-oxo-N-tetrahydrothiopyran-4-yl-tetrazole-1-carboxamide CAS Name: 4-(2-bromophenyl)-N-methyl-5-oxo-N-(4-thianyl)-1-tetrazolecarboxamide IUPAC Name: 4-(2-bromophenyl)-N-methyl-5-oxo-N-(thian-4-yl)tetrazole-1-carboxamide Traditional Name: 4-(2-bromophenyl)-5-keto-N-methyl-N-tetrahydrothiopyran-4-yl-tetrazole-1-carboxamide Formula: C14H16BrN5O2S MolecularWeight: 398.27814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSCC1)C(=O)N2C(=O)N(N=N2)C3=CC=CC=C3Br

Isomeric SMILES

CN(C1CCSCC1)C(=O)N2C(=O)N(N=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C14H16BrN5O2S/c1-18(10-6-8-23-9-7-10)13(21)20-14(22)19(16-17-20)12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3