5-bromanyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-3-carboxamide

Systemtic Name: 5-bromanyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-3-carboxamide Openeye Name: 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-3-carboxamide CAS Name: 5-bromo-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-3-thiophenecarboxamide IUPAC Name: 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-3-carboxamide Traditional Name: 5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-3-carboxamide Formula: C16H14BrN5O2S MolecularWeight: 420.28366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC(=C2)Br)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CSC(=C2)Br)N3C=NC=N3

InChI

InChI=1S/C16H14BrN5O2S/c1-10(22-9-18-8-19-22)15(23)20-12-2-4-13(5-3-12)21-16(24)11-6-14(17)25-7-11/h2-10H,1H3,(H,20,23)(H,21,24)