5-bromanyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide

Systemtic Name: 5-bromanyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide Openeye Name: 5-bromo-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide CAS Name: 5-bromo-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)-4-pyrazolyl]-2-thiophenesulfonamide IUPAC Name: 5-bromo-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide Traditional Name: 5-bromo-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]thiophene-2-sulfonamide Formula: C13H15BrN6O2S2 MolecularWeight: 431.3312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)N2C=NN=C2)NS(=O)(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CCCN1C(=C(C(=N1)N2C=NN=C2)NS(=O)(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C13H15BrN6O2S2/c1-3-6-20-9(2)12(13(17-20)19-7-15-16-8-19)18-24(21,22)11-5-4-10(14)23-11/h4-5,7-8,18H,3,6H2,1-2H3